2-(4-octanoylphenyl)ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-(4-octanoylphenyl)ethyl 4-methylbenzenesulfonate Openeye Name: 2-(4-octanoylphenyl)ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[4-(1-oxooctyl)phenyl]ethyl ester IUPAC Name: 2-(4-octanoylphenyl)ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-(4-caprylylphenyl)ethyl ester Formula: C23H30O4S MolecularWeight: 402.5469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)C1=CC=C(C=C1)CCOS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCCC(=O)C1=CC=C(C=C1)CCOS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C23H30O4S/c1-3-4-5-6-7-8-23(24)21-13-11-20(12-14-21)17-18-27-28(25,26)22-15-9-19(2)10-16-22/h9-16H,3-8,17-18H2,1-2H3