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

Systemtic Name: 2-methylpropyl 2,2,2-tris(phenylmethylsulfanyl)ethanesulfonate Openeye Name: isobutyl 2,2,2-tris(benzylsulfanyl)ethanesulfonate CAS Name: 2,2,2-tris(phenylmethylthio)ethanesulfonic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2,2,2-tris(benzylsulfanyl)ethanesulfonate Traditional Name: 2,2,2-tris(benzylthio)ethanesulfonic acid isobutyl ester Formula: C27H32O3S4 MolecularWeight: 532.80118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COS(=O)(=O)CC(SCC1=CC=CC=C1)(SCC2=CC=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC(C)COS(=O)(=O)CC(SCC1=CC=CC=C1)(SCC2=CC=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C27H32O3S4/c1-23(2)18-30-34(28,29)22-27(31-19-24-12-6-3-7-13-24,32-20-25-14-8-4-9-15-25)33-21-26-16-10-5-11-17-26/h3-17,23H,18-22H2,1-2H3