octyl 2,2,2-tris(phenylmethylsulfanyl)ethanesulfonate

Systemtic Name: octyl 2,2,2-tris(phenylmethylsulfanyl)ethanesulfonate Openeye Name: octyl 2,2,2-tris(benzylsulfanyl)ethanesulfonate CAS Name: 2,2,2-tris(phenylmethylthio)ethanesulfonic acid octyl ester IUPAC Name: octyl 2,2,2-tris(benzylsulfanyl)ethanesulfonate Traditional Name: 2,2,2-tris(benzylthio)ethanesulfonic acid octyl ester Formula: C31H40O3S4 MolecularWeight: 588.9075

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOS(=O)(=O)CC(SCC1=CC=CC=C1)(SCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCOS(=O)(=O)CC(SCC1=CC=CC=C1)(SCC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C31H40O3S4/c1-2-3-4-5-6-16-23-34-38(32,33)27-31(35-24-28-17-10-7-11-18-28,36-25-29-19-12-8-13-20-29)37-26-30-21-14-9-15-22-30/h7-15,17-22H,2-6,16,23-27H2,1H3