2-[(4-aminophenyl)-(4-azanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-(sulfomethyl)benzoic acid

Systemtic Name: 2-[(4-aminophenyl)-(4-azanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-4-(sulfomethyl)benzoic acid Openeye Name: 2-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-4-(sulfomethyl)benzoic acid CAS Name: 2-[(4-aminophenyl)-(4-imino-1-cyclohexa-2,5-dienylidene)methyl]-4-(sulfomethyl)benzoic acid IUPAC Name: 2-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-4-(sulfomethyl)benzoic acid Traditional Name: 2-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-4-(sulfomethyl)benzoic acid Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=C(C=CC(=C3)CS(=O)(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=N)C=CC1=C(C2=CC=C(C=C2)N)C3=C(C=CC(=C3)CS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C21H18N2O5S/c22-16-6-2-14(3-7-16)20(15-4-8-17(23)9-5-15)19-11-13(12-29(26,27)28)1-10-18(19)21(24)25/h1-11,22H,12,23H2,(H,24,25)(H,26,27,28)