1-phenylpentan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1-phenylpentan-2-yl 4-methylbenzenesulfonate Openeye Name: 1-benzylbutyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1-phenylpentan-2-yl ester IUPAC Name: 1-phenylpentan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 1-benzylbutyl ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O3S/c1-3-7-17(14-16-8-5-4-6-9-16)21-22(19,20)18-12-10-15(2)11-13-18/h4-6,8-13,17H,3,7,14H2,1-2H3