(6-methyl-7-oxidanylidene-3-propan-2-yl-cyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (6-methyl-7-oxidanylidene-3-propan-2-yl-cyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate Openeye Name: (3-isopropyl-6-methyl-7-oxo-cyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6-methyl-7-oxo-3-propan-2-yl-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: (6-methyl-7-oxo-3-propan-2-ylcyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-isopropyl-7-keto-6-methyl-cyclohepta-1,3,5-trien-1-yl) ester Formula: C18H20O4S MolecularWeight: 332.414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20O4S/c1-12(2)15-8-7-14(4)18(19)17(11-15)22-23(20,21)16-9-5-13(3)6-10-16/h5-12H,1-4H3