pentasodium 3-[(2Z)-2-[6-[[4-chloranyl-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-oxidanidylperoxysulfanyl-1-oxidanylidene-naphthalen-2-ylidene]hydrazinyl]-7-oxidanidylperoxysulfanyl-naphthalene-1,5-disulfonate

Systemtic Name: pentasodium 3-[(2Z)-2-[6-[[4-chloranyl-6-[(3-sulfonatophenyl)amino]-1,3,5-triazin-2-yl]amino]-3-oxidanidylperoxysulfanyl-1-oxidanylidene-naphthalen-2-ylidene]hydrazinyl]-7-oxidanidylperoxysulfanyl-naphthalene-1,5-disulfonate Openeye Name: pentasodium 3-[(2Z)-2-[6-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-3-oxidoperoxysulfanyl-1-oxo-2-naphthylidene]hydrazino]-7-oxidoperoxysulfanyl-naphthalene-1,5-disulfonate CAS Name: pentasodium 3-[(2Z)-2-[6-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-3-(oxidodioxythio)-1-oxo-2-naphthalenylidene]hydrazinyl]-7-(oxidodioxythio)naphthalene-1,5-disulfonate IUPAC Name: pentasodium 3-[(2Z)-2-[6-[[4-chloro-6-(3-sulfonatoanilino)-1,3,5-triazin-2-yl]amino]-3-oxidoperoxysulfanyl-1-oxonaphthalen-2-ylidene]hydrazinyl]-7-oxidoperoxysulfanylnaphthalene-1,5-disulfonate Traditional Name: pentasodium 3-[(N'Z)-N'-[6-[[4-chloro-6-(3-sulfonatoanilino)-s-triazin-2-yl]amino]-1-keto-3-(oxidoperoxythio)-2-naphthylidene]hydrazino]-7-(oxidoperoxythio)naphthalene-1,5-disulfonate Formula: C29H15ClN7Na5O16S5 MolecularWeight: 1028.19355

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)NC3=CC4=C(C=C3)C(=O)C(=NNC5=CC(=C6C=C(C=C(C6=C5)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])C(=C4)SOO[O-])Cl.[Na+].[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])NC2=NC(=NC(=N2)NC3=CC4=C(C=C3)C(=O)/C(=N/NC5=CC(=C6C=C(C=C(C6=C5)S(=O)(=O)[O-])SOO[O-])S(=O)(=O)[O-])/C(=C4)SOO[O-])Cl.[Na+].[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C29H20ClN7O16S5.5Na/c30-27-33-28(31-14-2-1-3-18(8-14)56(41,42)43)35-29(34-27)32-15-4-5-19-13(6-15)7-22(55-53-51-40)25(26(19)38)37-36-16-9-20-21(23(10-16)57(44,45)46)11-17(54-52-50-39)12-24(20)58(47,48)49;;;;;/h1-12,36,39-40H,(H,41,42,43)(H,44,45,46)(H,47,48,49)(H2,31,32,33,34,35);;;;;/q;5*+1/p-5/b37-25+;;;;;