trisodium (8Z)-8-[[4-[4-[2-(2-azanylidene-8-oxidanylidene-6-sulfonato-naphthalen-1-yl)hydrazinyl]-3-methyl-phenyl]-2-methyl-phenyl]hydrazinylidene]-7-oxidanylidene-naphthalene-1,3-disulfonate

Systemtic Name: trisodium (8Z)-8-[[4-[4-[2-(2-azanylidene-8-oxidanylidene-6-sulfonato-naphthalen-1-yl)hydrazinyl]-3-methyl-phenyl]-2-methyl-phenyl]hydrazinylidene]-7-oxidanylidene-naphthalene-1,3-disulfonate Openeye Name: trisodium (8Z)-8-[[4-[4-[2-(2-imino-8-oxo-6-sulfonato-1-naphthyl)hydrazino]-3-methyl-phenyl]-2-methyl-phenyl]hydrazono]-7-oxo-naphthalene-1,3-disulfonate CAS Name: trisodium (8Z)-8-[[4-[4-[(2-imino-8-oxo-6-sulfonato-1-naphthalenyl)hydrazo]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonate IUPAC Name: trisodium (8Z)-8-[[4-[4-[2-(2-imino-8-oxo-6-sulfonatonaphthalen-1-yl)hydrazinyl]-3-methylphenyl]-2-methylphenyl]hydrazinylidene]-7-oxonaphthalene-1,3-disulfonate Traditional Name: trisodium (8Z)-8-[[4-[4-[N'-(2-imino-8-keto-6-sulfonato-1-naphthyl)hydrazino]-3-methyl-phenyl]-2-methyl-phenyl]hydrazono]-7-keto-naphthalene-1,3-disulfonate Formula: C34H24N5Na3O11S3 MolecularWeight: 843.74557

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NN=C3C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])C)NNC5=C6C(=CC(=CC6=O)S(=O)(=O)[O-])C=CC5=N.[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)N/N=C/3\C(=O)C=CC4=CC(=CC(=C43)S(=O)(=O)[O-])S(=O)(=O)[O-])C)NNC5=C6C(=CC(=CC6=O)S(=O)(=O)[O-])C=CC5=N.[Na+].[Na+].[Na+]

InChI

InChI=1S/C34H27N5O11S3.3Na/c1-17-11-19(4-8-26(17)36-38-33-25(35)7-3-21-13-23(51(42,43)44)15-29(41)31(21)33)20-5-9-27(18(2)12-20)37-39-34-28(40)10-6-22-14-24(52(45,46)47)16-30(32(22)34)53(48,49)50;;;/h3-16,35-38H,1-2H3,(H,42,43,44)(H,45,46,47)(H,48,49,50);;;/q;3*+1/p-3/b35-25?,39-34+;;;