(5-methylcyclohexa-1,5-dien-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (5-methylcyclohexa-1,5-dien-1-yl) 4-methylbenzenesulfonate Openeye Name: (5-methylcyclohexa-1,5-dien-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (5-methyl-1-cyclohexa-1,5-dienyl) ester IUPAC Name: (5-methylcyclohexa-1,5-dien-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (5-methylcyclohexa-1,5-dien-1-yl) ester Formula: C14H16O3S MolecularWeight: 264.34004

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CCC1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CC1=CC(=CCC1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C14H16O3S/c1-11-6-8-14(9-7-11)18(15,16)17-13-5-3-4-12(2)10-13/h5-10H,3-4H2,1-2H3