2-[(1S,2S)-2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanylethanoic acid

Systemtic Name: 2-[(1S,2S)-2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanylethanoic acid Openeye Name: 2-[(1S,2S)-2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanylacetic acid CAS Name: 2-[[(1S,2S)-2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]acetic acid IUPAC Name: 2-[(1S,2S)-2-(3,5-ditert-butylphenyl)sulfanylcyclohexyl]sulfanylacetic acid Traditional Name: 2-[[(1S,2S)-2-[(3,5-ditert-butylphenyl)thio]cyclohexyl]thio]acetic acid Formula: C22H34O2S2 MolecularWeight: 394.63416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)SC2CCCCC2SCC(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)S[C@H]2CCCC[C@@H]2SCC(=O)O)C(C)(C)C

InChI

InChI=1S/C22H34O2S2/c1-21(2,3)15-11-16(22(4,5)6)13-17(12-15)26-19-10-8-7-9-18(19)25-14-20(23)24/h11-13,18-19H,7-10,14H2,1-6H3,(H,23,24)/t18-,19-/m0/s1