3-phenylpropyl 4-methylbenzenesulfonate

Systemtic Name: 3-phenylpropyl 4-methylbenzenesulfonate Openeye Name: 3-phenylpropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-phenylpropyl ester Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C16H18O3S/c1-14-9-11-16(12-10-14)20(17,18)19-13-5-8-15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13H2,1H3