trisodium (6Z)-4-azanyl-3-[[4-[4-[[2,4-bis(azanyl)phenyl]diazenyl]-3-methoxy-phenyl]-2-methoxy-phenyl]diazenyl]-5-oxidanylidene-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate

Systemtic Name: trisodium (6Z)-4-azanyl-3-[[4-[4-[[2,4-bis(azanyl)phenyl]diazenyl]-3-methoxy-phenyl]-2-methoxy-phenyl]diazenyl]-5-oxidanylidene-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Openeye Name: trisodium (6Z)-4-amino-3-[4-[4-(2,4-diaminophenyl)azo-3-methoxy-phenyl]-2-methoxy-phenyl]azo-5-oxo-6-[(4-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate CAS Name: trisodium (6Z)-4-amino-3-[4-[4-(2,4-diaminophenyl)azo-3-methoxyphenyl]-2-methoxyphenyl]azo-5-oxo-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate IUPAC Name: trisodium (6Z)-4-amino-3-[[4-[4-[(2,4-diaminophenyl)diazenyl]-3-methoxyphenyl]-2-methoxyphenyl]diazenyl]-5-oxo-6-[(4-sulfonatophenyl)hydrazinylidene]naphthalene-2,7-disulfonate Traditional Name: trisodium (6Z)-4-amino-3-[4-[4-(2,4-diaminophenyl)azo-3-methoxy-phenyl]-2-methoxy-phenyl]azo-5-keto-6-[(4-sulfonatophenyl)hydrazono]naphthalene-2,7-disulfonate Formula: C36H28N9Na3O12S3 MolecularWeight: 943.82493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(C(=NNC5=CC=C(C=C5)S(=O)(=O)[O-])C(=O)C4=C3N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N=NC6=C(C=C(C=C6)N)N.[Na+].[Na+].[Na+]

Isomeric SMILES

COC1=C(C=CC(=C1)C2=CC(=C(C=C2)N=NC3=C(C=C4C=C(/C(=N\NC5=CC=C(C=C5)S(=O)(=O)[O-])/C(=O)C4=C3N)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)N=NC6=C(C=C(C=C6)N)N.[Na+].[Na+].[Na+]

InChI

InChI=1S/C36H31N9O12S3.3Na/c1-56-28-13-18(3-10-26(28)42-41-25-12-5-21(37)17-24(25)38)19-4-11-27(29(14-19)57-2)43-44-34-30(59(50,51)52)15-20-16-31(60(53,54)55)35(36(46)32(20)33(34)39)45-40-22-6-8-23(9-7-22)58(47,48)49;;;/h3-17,40H,37-39H2,1-2H3,(H,47,48,49)(H,50,51,52)(H,53,54,55);;;/q;3*+1/p-3/b42-41?,44-43?,45-35+;;;