5-phenylpentyl 4-methylbenzenesulfonate

Systemtic Name: 5-phenylpentyl 4-methylbenzenesulfonate Openeye Name: 5-phenylpentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-phenylpentyl ester IUPAC Name: 5-phenylpentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-phenylpentyl ester Formula: C18H22O3S MolecularWeight: 318.43048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC2=CC=CC=C2

InChI

InChI=1S/C18H22O3S/c1-16-11-13-18(14-12-16)22(19,20)21-15-7-3-6-10-17-8-4-2-5-9-17/h2,4-5,8-9,11-14H,3,6-7,10,15H2,1H3