4-[4-[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid

Systemtic Name: 4-[4-[(E)-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxidanylidene-1H-pyrazol-2-yl]benzenesulfonic acid Openeye Name: 4-[4-[(E)-(3-methoxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid CAS Name: 4-[4-[(E)-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid IUPAC Name: 4-[4-[(E)-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-5-methyl-3-oxo-1H-pyrazol-2-yl]benzenesulfonic acid Traditional Name: 4-[5-keto-4-[(E)-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)methyl]-3-methyl-3-pyrazolin-1-yl]besylic acid Formula: C18H16N2O6S MolecularWeight: 388.39444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)C=C3C=CC(=O)C(=C3)OC

Isomeric SMILES

CC1=C(C(=O)N(N1)C2=CC=C(C=C2)S(=O)(=O)O)/C=C/3\C=CC(=O)C(=C3)OC

InChI

InChI=1S/C18H16N2O6S/c1-11-15(9-12-3-8-16(21)17(10-12)26-2)18(22)20(19-11)13-4-6-14(7-5-13)27(23,24)25/h3-10,19H,1-2H3,(H,23,24,25)/b12-9+