(2-phenylcycloheptyl) 4-methylbenzenesulfonate

Systemtic Name: (2-phenylcycloheptyl) 4-methylbenzenesulfonate Openeye Name: (2-phenylcycloheptyl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-phenylcycloheptyl) ester IUPAC Name: (2-phenylcycloheptyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-phenylcycloheptyl) ester Formula: C20H24O3S MolecularWeight: 344.46776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCCC2C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CCCCCC2C3=CC=CC=C3

InChI

InChI=1S/C20H24O3S/c1-16-12-14-18(15-13-16)24(21,22)23-20-11-7-3-6-10-19(20)17-8-4-2-5-9-17/h2,4-5,8-9,12-15,19-20H,3,6-7,10-11H2,1H3