1-phenylbutan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1-phenylbutan-2-yl 4-methylbenzenesulfonate Openeye Name: 1-benzylpropyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-phenylbutan-2-yl ester IUPAC Name: 1-phenylbutan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-benzylpropyl ester Formula: C17H20O3S MolecularWeight: 304.4039

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC(CC1=CC=CC=C1)OS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C17H20O3S/c1-3-16(13-15-7-5-4-6-8-15)20-21(18,19)17-11-9-14(2)10-12-17/h4-12,16H,3,13H2,1-2H3