2-[(3-methyl-4-oxidanidyl-phenyl)-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate

Systemtic Name: 2-[(3-methyl-4-oxidanidyl-phenyl)-(3-methyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate Openeye Name: 2-[(3-methyl-4-oxido-phenyl)-(3-methyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate CAS Name: 2-[(3-methyl-4-oxidophenyl)-(3-methyl-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonate IUPAC Name: 2-[(3-methyl-4-oxidophenyl)-(3-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate Traditional Name: 2-[(4-keto-3-methyl-cyclohexa-2,5-dien-1-ylidene)-(3-methyl-4-oxido-phenyl)methyl]besylate Formula: C21H16O5S-2 MolecularWeight: 380.41374

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=CC(=C(C=C2)[O-])C)C3=CC=CC=C3S(=O)(=O)[O-])C=CC1=O

Isomeric SMILES

CC1=CC(=C(C2=CC(=C(C=C2)[O-])C)C3=CC=CC=C3S(=O)(=O)[O-])C=CC1=O

InChI

InChI=1S/C21H18O5S/c1-13-11-15(7-9-18(13)22)21(16-8-10-19(23)14(2)12-16)17-5-3-4-6-20(17)27(24,25)26/h3-12,22H,1-2H3,(H,24,25,26)/p-2