3-[(4-methylphenyl)hydrazinylidene]-4-oxidanylidene-7-[[5-oxidanylidene-7-sulfo-6-[(6-sulfonaphthalen-2-yl)hydrazinylidene]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid; sodium

Systemtic Name: 3-[(4-methylphenyl)hydrazinylidene]-4-oxidanylidene-7-[[5-oxidanylidene-7-sulfo-6-[(6-sulfonaphthalen-2-yl)hydrazinylidene]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid; sodium Openeye Name: 4-oxo-7-[[5-oxo-7-sulfo-6-[(6-sulfo-2-naphthyl)hydrazono]-2-naphthyl]carbamoylamino]-3-(p-tolylhydrazono)naphthalene-2-sulfonic acid; sodium CAS Name: 3-[(4-methylphenyl)hydrazinylidene]-4-oxo-7-[[oxo-[[5-oxo-7-sulfo-6-[(6-sulfo-2-naphthalenyl)hydrazinylidene]-2-naphthalenyl]amino]methyl]amino]-2-naphthalenesulfonic acid; sodium IUPAC Name: 3-[(4-methylphenyl)hydrazinylidene]-4-oxo-7-[[5-oxo-7-sulfo-6-[(6-sulfonaphthalen-2-yl)hydrazinylidene]naphthalen-2-yl]carbamoylamino]naphthalene-2-sulfonic acid; sodium Traditional Name: 4-keto-7-[[5-keto-7-sulfo-6-[(6-sulfo-2-naphthyl)hydrazono]-2-naphthyl]carbamoylamino]-3-(p-tolylhydrazono)naphthalene-2-sulfonic acid; sodium Formula: C38H28N6NaO12S3 MolecularWeight: 879.84669

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)C(=NNC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)O)C(=C5)S(=O)(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

CC1=CC=C(C=C1)NN=C2C(=CC3=C(C2=O)C=CC(=C3)NC(=O)NC4=CC5=C(C=C4)C(=O)C(=NNC6=CC7=C(C=C6)C=C(C=C7)S(=O)(=O)O)C(=C5)S(=O)(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C38H28N6O12S3.Na/c1-20-2-6-25(7-3-20)41-43-34-32(58(51,52)53)18-23-15-26(9-12-30(23)36(34)45)39-38(47)40-27-10-13-31-24(16-27)19-33(59(54,55)56)35(37(31)46)44-42-28-8-4-22-17-29(57(48,49)50)11-5-21(22)14-28;/h2-19,41-42H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);