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

Systemtic Name: (7-oxidanylidenecyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate Openeye Name: (7-oxocyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (7-oxo-1-cyclohepta-1,3,5-trienyl) ester IUPAC Name: (7-oxocyclohepta-1,3,5-trien-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-ketocyclohepta-1,3,5-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=CC2=O

Isomeric SMILES

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

InChI

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