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

Systemtic Name: trisodium 7-[[2-methyl-4-[(2Z)-2-(3-oxidanidylperoxysulfanyl-1-oxidanylidene-6-phenylazanyl-naphthalen-2-ylidene)hydrazinyl]phenyl]diazenyl]-3-oxidanidylperoxysulfanyl-naphthalene-1-sulfonate Openeye Name: trisodium 7-[4-[(2Z)-2-(6-anilino-3-oxidoperoxysulfanyl-1-oxo-2-naphthylidene)hydrazino]-2-methyl-phenyl]azo-3-oxidoperoxysulfanyl-naphthalene-1-sulfonate CAS Name: trisodium 7-[4-[(2Z)-2-[6-anilino-3-(oxidodioxythio)-1-oxo-2-naphthalenylidene]hydrazinyl]-2-methylphenyl]azo-3-(oxidodioxythio)-1-naphthalenesulfonate IUPAC Name: trisodium 7-[[4-[(2Z)-2-(6-anilino-3-oxidoperoxysulfanyl-1-oxonaphthalen-2-ylidene)hydrazinyl]-2-methylphenyl]diazenyl]-3-oxidoperoxysulfanylnaphthalene-1-sulfonate Traditional Name: trisodium 7-[4-[(N'Z)-N'-[6-anilino-1-keto-3-(oxidoperoxythio)-2-naphthylidene]hydrazino]-2-methyl-phenyl]azo-3-(oxidoperoxythio)naphthalene-1-sulfonate Formula: C33H22N5Na3O10S3 MolecularWeight: 813.71959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC4=CC=CC=C4)SOO[O-])N=NC5=CC6=C(C=C(C=C6C=C5)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)N/N=C/2\C(=CC3=C(C2=O)C=CC(=C3)NC4=CC=CC=C4)SOO[O-])N=NC5=CC6=C(C=C(C=C6C=C5)SOO[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C33H25N5O10S3.3Na/c1-19-13-24(10-12-29(19)37-35-25-8-7-20-15-26(49-47-45-40)18-31(28(20)17-25)51(42,43)44)36-38-32-30(50-48-46-41)16-21-14-23(9-11-27(21)33(32)39)34-22-5-3-2-4-6-22;;;/h2-18,34,36,40-41H,1H3,(H,42,43,44);;;/q;3*+1/p-3/b37-35?,38-32+;;;