8-phenyloctyl 4-methylbenzenesulfonate

Systemtic Name: 8-phenyloctyl 4-methylbenzenesulfonate Openeye Name: 8-phenyloctyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 8-phenyloctyl ester IUPAC Name: 8-phenyloctyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 8-phenyloctyl ester Formula: C21H28O3S MolecularWeight: 360.51022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCCC2=CC=CC=C2

InChI

InChI=1S/C21H28O3S/c1-19-14-16-21(17-15-19)25(22,23)24-18-10-5-3-2-4-7-11-20-12-8-6-9-13-20/h6,8-9,12-17H,2-5,7,10-11,18H2,1H3