2-(6-methyl-5-oxidanylidene-4-phenoxy-cyclohepta-1,3,6-trien-1-yl)oxysulfinylethanoic acid

Systemtic Name: 2-(6-methyl-5-oxidanylidene-4-phenoxy-cyclohepta-1,3,6-trien-1-yl)oxysulfinylethanoic acid Openeye Name: 2-(6-methyl-5-oxo-4-phenoxy-cyclohepta-1,3,6-trien-1-yl)oxysulfinylacetic acid CAS Name: 2-[(6-methyl-5-oxo-4-phenoxy-1-cyclohepta-1,3,6-trienyl)oxysulfinyl]acetic acid IUPAC Name: 2-(6-methyl-5-oxo-4-phenoxycyclohepta-1,3,6-trien-1-yl)oxysulfinylacetic acid Traditional Name: 2-(5-keto-6-methyl-4-phenoxy-cyclohepta-1,3,6-trien-1-yl)oxysulfinylacetic acid Formula: C16H14O6S MolecularWeight: 334.34376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C(C1=O)OC2=CC=CC=C2)OS(=O)CC(=O)O

Isomeric SMILES

CC1=CC(=CC=C(C1=O)OC2=CC=CC=C2)OS(=O)CC(=O)O

InChI

InChI=1S/C16H14O6S/c1-11-9-13(22-23(20)10-15(17)18)7-8-14(16(11)19)21-12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,17,18)