trisodium 4-[[5-methoxy-2-methyl-4-[(2Z)-2-(3-oxidanidylperoxysulfanyl-1-oxidanylidene-6-phenylazanyl-naphthalen-2-ylidene)hydrazinyl]phenyl]diazenyl]-7-oxidanidylperoxysulfanyl-5-oxidanyl-naphthalene-2-sulfonate

Systemtic Name: trisodium 4-[[5-methoxy-2-methyl-4-[(2Z)-2-(3-oxidanidylperoxysulfanyl-1-oxidanylidene-6-phenylazanyl-naphthalen-2-ylidene)hydrazinyl]phenyl]diazenyl]-7-oxidanidylperoxysulfanyl-5-oxidanyl-naphthalene-2-sulfonate Openeye Name: trisodium 4-[4-[(2Z)-2-(6-anilino-3-oxidoperoxysulfanyl-1-oxo-2-naphthylidene)hydrazino]-5-methoxy-2-methyl-phenyl]azo-5-hydroxy-7-oxidoperoxysulfanyl-naphthalene-2-sulfonate CAS Name: trisodium 4-[4-[(2Z)-2-[6-anilino-3-(oxidodioxythio)-1-oxo-2-naphthalenylidene]hydrazinyl]-5-methoxy-2-methylphenyl]azo-5-hydroxy-7-(oxidodioxythio)-2-naphthalenesulfonate IUPAC Name: trisodium 4-[[4-[(2Z)-2-(6-anilino-3-oxidoperoxysulfanyl-1-oxonaphthalen-2-ylidene)hydrazinyl]-5-methoxy-2-methylphenyl]diazenyl]-5-hydroxy-7-oxidoperoxysulfanylnaphthalene-2-sulfonate Traditional Name: trisodium 4-[4-[(N'Z)-N'-[6-anilino-1-keto-3-(oxidoperoxythio)-2-naphthylidene]hydrazino]-5-methoxy-2-methyl-phenyl]azo-5-hydroxy-7-(oxidoperoxythio)naphthalene-2-sulfonate Formula: C34H24N5Na3O12S3 MolecularWeight: 859.74497

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N=NC2=CC(=CC3=CC(=CC(=C32)O)SOO[O-])S(=O)(=O)[O-])OC)NN=C4C(=CC5=C(C4=O)C=CC(=C5)NC6=CC=CC=C6)SOO[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1N=NC2=CC(=CC3=CC(=CC(=C32)O)SOO[O-])S(=O)(=O)[O-])OC)N/N=C/4\C(=CC5=C(C4=O)C=CC(=C5)NC6=CC=CC=C6)SOO[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C34H27N5O12S3.3Na/c1-18-10-27(37-39-33-31(53-51-49-43)14-19-11-22(8-9-25(19)34(33)41)35-21-6-4-3-5-7-21)30(47-2)17-26(18)36-38-28-16-24(54(44,45)46)13-20-12-23(52-50-48-42)15-29(40)32(20)28;;;/h3-17,35,37,40,42-43H,1-2H3,(H,44,45,46);;;/q;3*+1/p-3/b38-36?,39-33+;;;