1-phenylpropyl 4-methylbenzenesulfonate

Systemtic Name: 1-phenylpropyl 4-methylbenzenesulfonate Openeye Name: 1-phenylpropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-phenylpropyl ester IUPAC Name: 1-phenylpropyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-phenylpropyl ester Formula: C16H18O3S MolecularWeight: 290.37732

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(C1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C16H18O3S/c1-3-16(14-7-5-4-6-8-14)19-20(17,18)15-11-9-13(2)10-12-15/h4-12,16H,3H2,1-2H3