[3,3-bis(ethylsulfanyl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate

Systemtic Name: [3,3-bis(ethylsulfanyl)-2-oxidanyl-propyl] 4-methylbenzenesulfonate Openeye Name: [3,3-bis(ethylsulfanyl)-2-hydroxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,3-bis(ethylthio)-2-hydroxypropyl] ester IUPAC Name: [3,3-bis(ethylsulfanyl)-2-hydroxypropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3,3-bis(ethylthio)-2-hydroxy-propyl] ester Formula: C14H22O4S3 MolecularWeight: 350.51708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(C(COS(=O)(=O)C1=CC=C(C=C1)C)O)SCC

Isomeric SMILES

CCSC(C(COS(=O)(=O)C1=CC=C(C=C1)C)O)SCC

InChI

InChI=1S/C14H22O4S3/c1-4-19-14(20-5-2)13(15)10-18-21(16,17)12-8-6-11(3)7-9-12/h6-9,13-15H,4-5,10H2,1-3H3