(3E)-3-(4,6-diphenyl-1H-1,3,5-triazin-2-ylidene)-6-methoxy-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid

Systemtic Name: (3E)-3-(4,6-diphenyl-1H-1,3,5-triazin-2-ylidene)-6-methoxy-4-oxidanylidene-cyclohexa-1,5-diene-1-sulfonic acid Openeye Name: (3E)-3-(4,6-diphenyl-1H-1,3,5-triazin-2-ylidene)-6-methoxy-4-oxo-cyclohexa-1,5-diene-1-sulfonic acid CAS Name: (3E)-3-(4,6-diphenyl-1H-1,3,5-triazin-2-ylidene)-6-methoxy-4-oxo-1-cyclohexa-1,5-dienesulfonic acid IUPAC Name: (3E)-3-(4,6-diphenyl-1H-1,3,5-triazin-2-ylidene)-6-methoxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid Traditional Name: (3E)-3-(4,6-diphenyl-1H-s-triazin-2-ylidene)-4-keto-6-methoxy-cyclohexa-1,5-diene-1-sulfonic acid Formula: C22H17N3O5S MolecularWeight: 435.45248

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=O)C(=C2NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)C=C1S(=O)(=O)O

Isomeric SMILES

COC1=CC(=O)/C(=C/2\NC(=NC(=N2)C3=CC=CC=C3)C4=CC=CC=C4)/C=C1S(=O)(=O)O

InChI

InChI=1S/C22H17N3O5S/c1-30-18-13-17(26)16(12-19(18)31(27,28)29)22-24-20(14-8-4-2-5-9-14)23-21(25-22)15-10-6-3-7-11-15/h2-13H,1H3,(H,23,24,25)(H,27,28,29)