[3-(hexadecoxymethyl)-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate

Systemtic Name: [3-(hexadecoxymethyl)-4-phenylmethoxy-butyl] 4-methylbenzenesulfonate Openeye Name: [3-(benzyloxymethyl)-4-hexadecoxy-butyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-(hexadecoxymethyl)-4-phenylmethoxybutyl] ester IUPAC Name: [3-(hexadecoxymethyl)-4-phenylmethoxybutyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-(benzoxymethyl)-4-cetyloxy-butyl] ester Formula: C35H56O5S MolecularWeight: 588.88114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(CCOS(=O)(=O)C1=CC=C(C=C1)C)COCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(CCOS(=O)(=O)C1=CC=C(C=C1)C)COCC2=CC=CC=C2

InChI

InChI=1S/C35H56O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-27-38-30-34(31-39-29-33-20-17-16-18-21-33)26-28-40-41(36,37)35-24-22-32(2)23-25-35/h16-18,20-25,34H,3-15,19,26-31H2,1-2H3