(5-oxidanylidenecyclohepta-1,3,6-trien-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-oxidanylidenecyclohepta-1,3,6-trien-1-yl) 4-methylbenzenesulfonate Openeye Name: (5-oxocyclohepta-1,3,6-trien-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-oxo-1-cyclohepta-1,3,6-trienyl) ester IUPAC Name: (5-oxocyclohepta-1,3,6-trien-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-ketocyclohepta-1,3,6-trien-1-yl) ester Formula: C14H12O4S MolecularWeight: 276.30768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H12O4S/c1-11-5-9-14(10-6-11)19(16,17)18-13-4-2-3-12(15)7-8-13/h2-10H,1H3