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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=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(=CC=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/c1-20-3-2-4-27(13-20)41-43-34-32(58(51,52)53)18-23-15-25(8-11-30(23)36(34)45)39-38(47)40-26-9-12-31-24(16-26)19-33(59(54,55)56)35(37(31)46)44-42-28-7-5-22-17-29(57(48,49)50)10-6-21(22)14-28;/h2-19,41-42H,1H3,(H2,39,40,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);