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

Systemtic Name: (7-oxidanylidene-3-propan-2-yl-cyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate Openeye Name: (3-isopropyl-7-oxo-cyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (7-oxo-3-propan-2-yl-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: (7-oxo-3-propan-2-ylcyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-isopropyl-7-keto-cyclohepta-1,3,5-trien-1-yl) ester Formula: C17H18O4S MolecularWeight: 318.38742

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC=CC2=O)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC(=CC=CC2=O)C(C)C

InChI

InChI=1S/C17H18O4S/c1-12(2)14-5-4-6-16(18)17(11-14)21-22(19,20)15-9-7-13(3)8-10-15/h4-12H,1-3H3