hexasodium 4-[4-[[5-[[4-[[4-[(E)-2-[4-[[4-[[3-[[1-[2,5-bis(chloranyl)-4-sulfonato-phenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-4-sulfonato-phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-2,5-bis(chloranyl)benzenesulfonate

Systemtic Name: hexasodium 4-[4-[[5-[[4-[[4-[(E)-2-[4-[[4-[[3-[[1-[2,5-bis(chloranyl)-4-sulfonato-phenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-4-yl]diazenyl]-4-sulfonato-phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]ethenyl]-3-sulfonato-phenyl]amino]-6-chloranyl-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]diazenyl]-3-methyl-5-oxidanylidene-4H-pyrazol-1-yl]-2,5-bis(chloranyl)benzenesulfonate Openeye Name: hexasodium 2,5-dichloro-4-[4-[5-[[4-chloro-6-[4-[(E)-2-[4-[[4-chloro-6-[3-[[1-(2,5-dichloro-4-sulfonato-phenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-4-sulfonato-anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate CAS Name: hexasodium 2,5-dichloro-4-[4-[5-[[4-chloro-6-[4-[(E)-2-[4-[[4-chloro-6-[3-[[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]azo]-4-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]azo-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate IUPAC Name: hexasodium 2,5-dichloro-4-[4-[[5-[[4-chloro-6-[4-[(E)-2-[4-[[4-chloro-6-[3-[[1-(2,5-dichloro-4-sulfonatophenyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-4-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]ethenyl]-3-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonate Traditional Name: hexasodium 2,5-dichloro-4-[4-[5-[[4-chloro-6-[4-[(E)-2-[4-[[4-chloro-6-[3-[[1-(2,5-dichloro-4-sulfonato-phenyl)-5-keto-3-methyl-2-pyrazolin-4-yl]azo]-4-sulfonato-anilino]-s-triazin-2-yl]amino]-2-sulfonato-phenyl]vinyl]-3-sulfonato-anilino]-s-triazin-2-yl]amino]-2-sulfonato-phenyl]azo-5-keto-3-methyl-2-pyrazolin-1-yl]besylate Formula: C52H30Cl6N18Na6O20S6 MolecularWeight: 1769.94982

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)Cl)NC4=CC(=C(C=C4)C=CC5=C(C=C(C=C5)NC6=NC(=NC(=N6)NC7=CC(=C(C=C7)S(=O)(=O)[O-])N=NC8C(=NN(C8=O)C9=CC(=C(C=C9Cl)S(=O)(=O)[O-])Cl)C)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C1=CC(=C(C=C1Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=NN(C(=O)C1N=NC2=C(C=CC(=C2)NC3=NC(=NC(=N3)Cl)NC4=CC(=C(C=C4)/C=C/C5=C(C=C(C=C5)NC6=NC(=NC(=N6)NC7=CC(=C(C=C7)S(=O)(=O)[O-])N=NC8C(=NN(C8=O)C9=CC(=C(C=C9Cl)S(=O)(=O)[O-])Cl)C)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-])C1=CC(=C(C=C1Cl)S(=O)(=O)[O-])Cl.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C52H36Cl6N18O20S6.6Na/c1-21-43(45(77)75(73-21)35-17-31(55)41(19-29(35)53)101(91,92)93)71-69-33-13-25(9-11-37(33)97(79,80)81)59-49-63-47(57)65-51(67-49)61-27-7-5-23(39(15-27)99(85,86)87)3-4-24-6-8-28(16-40(24)100(88,89)90)62-52-66-48(58)64-50(68-52)60-26-10-12-38(98(82,83)84)34(14-26)70-72-44-22(2)74-76(46(44)78)36-18-32(56)42(20-30(36)54)102(94,95)96;;;;;;/h3-20,43-44H,1-2H3,(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90)(H,91,92,93)(H,94,95,96)(H2,59,61,63,65,67)(H2,60,62,64,66,68);;;;;;/q;6*+1/p-6/b4-3+,71-69?,72-70?;;;;;;