disodium; [4-[(4-azanyl-3-methyl-phenyl)-(4-phenylazanylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-phenyl-azanium; methanesulfonate

Systemtic Name: disodium; [4-[(4-azanyl-3-methyl-phenyl)-(4-phenylazanylphenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-phenyl-azanium; methanesulfonate Openeye Name: disodium; [4-[(4-amino-3-methyl-phenyl)-(4-anilinophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-phenyl-ammonium; methanesulfonate CAS Name: disodium; [4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)methylidene]-1-cyclohexa-2,5-dienylidene]-phenylammonium; methanesulfonate IUPAC Name: disodium; [4-[(4-amino-3-methylphenyl)-(4-anilinophenyl)methylidene]cyclohexa-2,5-dien-1-ylidene]-phenylazanium; methanesulfonate Traditional Name: disodium [4-[(4-amino-3-methyl-phenyl)-(4-anilinophenyl)methylene]cyclohexa-2,5-dien-1-ylidene]-phenyl-ammonium trimesylate Formula: C35H37N3Na2O9S3 MolecularWeight: 785.85752

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=C2C=CC(=[NH+]C3=CC=CC=C3)C=C2)C4=CC=C(C=C4)NC5=CC=CC=C5)N.CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=C2C=CC(=[NH+]C3=CC=CC=C3)C=C2)C4=CC=C(C=C4)NC5=CC=CC=C5)N.CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C32H27N3.3CH4O3S.2Na/c1-23-22-26(16-21-31(23)33)32(24-12-17-29(18-13-24)34-27-8-4-2-5-9-27)25-14-19-30(20-15-25)35-28-10-6-3-7-11-28;3*1-5(2,3)4;;/h2-22,34H,33H2,1H3;3*1H3,(H,2,3,4);;/q;;;;2*+1/p-2