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

Systemtic Name: 2,2-dimethylpropyl 2,2,2-tris(phenylmethylsulfanyl)ethanesulfonate Openeye Name: 2,2-dimethylpropyl 2,2,2-tris(benzylsulfanyl)ethanesulfonate CAS Name: 2,2,2-tris(phenylmethylthio)ethanesulfonic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 2,2,2-tris(benzylsulfanyl)ethanesulfonate Traditional Name: 2,2,2-tris(benzylthio)ethanesulfonic acid neopentyl ester Formula: C28H34O3S4 MolecularWeight: 546.82776

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H34O3S4/c1-27(2,3)22-31-35(29,30)23-28(32-19-24-13-7-4-8-14-24,33-20-25-15-9-5-10-16-25)34-21-26-17-11-6-12-18-26/h4-18H,19-23H2,1-3H3