S-[3,3-bis(phenylsulfanyl)propyl] cyclohexanecarbothioate

Systemtic Name: S-[3,3-bis(phenylsulfanyl)propyl] cyclohexanecarbothioate Openeye Name: S-[3,3-bis(phenylsulfanyl)propyl] cyclohexanecarbothioate CAS Name: cyclohexanecarbothioic acid S-[3,3-bis(phenylthio)propyl] ester IUPAC Name: S-[3,3-bis(phenylsulfanyl)propyl] cyclohexanecarbothioate Traditional Name: cyclohexanecarbothioic acid S-[3,3-bis(phenylthio)propyl] ester Formula: C22H26OS3 MolecularWeight: 402.63624

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)SCCC(SC2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)SCCC(SC2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H26OS3/c23-22(18-10-4-1-5-11-18)24-17-16-21(25-19-12-6-2-7-13-19)26-20-14-8-3-9-15-20/h2-3,6-9,12-15,18,21H,1,4-5,10-11,16-17H2