4-[[5-methoxy-4-[[4-[[(6Z)-6-[(2-methoxy-5-sulfo-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonic acid; sodium

Systemtic Name: 4-[[5-methoxy-4-[[4-[[(6Z)-6-[(2-methoxy-5-sulfo-phenyl)hydrazinylidene]-5-oxidanylidene-7-sulfo-naphthalen-2-yl]amino]-6-phenylazanyl-1,3,5-triazin-2-yl]amino]-2-methyl-phenyl]diazenyl]-5-oxidanyl-naphthalene-2,7-disulfonic acid; sodium Openeye Name: 4-[4-[[4-anilino-6-[[(6Z)-6-[(2-methoxy-5-sulfo-phenyl)hydrazono]-5-oxo-7-sulfo-2-naphthyl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]azo-5-hydroxy-naphthalene-2,7-disulfonic acid; sodium CAS Name: 4-[4-[[4-anilino-6-[[(6Z)-6-[(2-methoxy-5-sulfophenyl)hydrazinylidene]-5-oxo-7-sulfo-2-naphthalenyl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]azo-5-hydroxynaphthalene-2,7-disulfonic acid; sodium IUPAC Name: 4-[[4-[[4-anilino-6-[[(6Z)-6-[(2-methoxy-5-sulfophenyl)hydrazinylidene]-5-oxo-7-sulfonaphthalen-2-yl]amino]-1,3,5-triazin-2-yl]amino]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxynaphthalene-2,7-disulfonic acid; sodium Traditional Name: 4-[4-[[4-anilino-6-[[(6Z)-5-keto-6-[(2-methoxy-5-sulfo-phenyl)hydrazono]-7-sulfo-2-naphthyl]amino]-s-triazin-2-yl]amino]-5-methoxy-2-methyl-phenyl]azo-5-hydroxy-naphthalene-2,7-disulfonic acid; sodium Formula: C44H36N10Na4O16S4 MolecularWeight: 1181.03312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)OC)NC4=NC(=NC(=N4)NC5=CC6=C(C=C5)C(=O)C(=NNC7=C(C=CC(=C7)S(=O)(=O)O)OC)C(=C6)S(=O)(=O)O)NC8=CC=CC=C8.[Na].[Na].[Na].[Na]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)OC)NC4=NC(=NC(=N4)NC5=CC6=C(C=C5)C(=O)/C(=N/NC7=C(C=CC(=C7)S(=O)(=O)O)OC)/C(=C6)S(=O)(=O)O)NC8=CC=CC=C8.[Na].[Na].[Na].[Na]

InChI

InChI=1S/C44H36N10O16S4.4Na/c1-22-13-32(37(70-3)21-31(22)51-53-34-19-28(72(60,61)62)15-24-16-29(73(63,64)65)20-35(55)39(24)34)47-44-49-42(45-25-7-5-4-6-8-25)48-43(50-44)46-26-9-11-30-23(14-26)17-38(74(66,67)68)40(41(30)56)54-52-33-18-27(71(57,58)59)10-12-36(33)69-2;;;;/h4-21,52,55H,1-3H3,(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,66,67,68)(H3,45,46,47,48,49,50);;;;/b53-51?,54-40+;;;;