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

Systemtic Name: 5-[(4-aminophenyl)-(4-azanylidenecyclohexa-2,5-dien-1-ylidene)methyl]-2-(sulfomethyl)benzenesulfonic acid Openeye Name: 5-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-(sulfomethyl)benzenesulfonic acid CAS Name: 5-[(4-aminophenyl)-(4-imino-1-cyclohexa-2,5-dienylidene)methyl]-2-(sulfomethyl)benzenesulfonic acid IUPAC Name: 5-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-(sulfomethyl)benzenesulfonic acid Traditional Name: 5-[(4-aminophenyl)-(4-iminocyclohexa-2,5-dien-1-ylidene)methyl]-2-(sulfomethyl)besylic acid Formula: C20H18N2O6S2 MolecularWeight: 446.49672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N2O6S2/c21-17-7-3-13(4-8-17)20(14-5-9-18(22)10-6-14)15-1-2-16(12-29(23,24)25)19(11-15)30(26,27)28/h1-11,21H,12,22H2,(H,23,24,25)(H,26,27,28)