2-(4-tert-butylphenyl)sulfanyl-8-phenyl-octanoic acid; 2-(4-ethylphenyl)sulfonyl-8-phenyl-octanoic acid

Systemtic Name: 2-(4-tert-butylphenyl)sulfanyl-8-phenyl-octanoic acid; 2-(4-ethylphenyl)sulfonyl-8-phenyl-octanoic acid Openeye Name: 2-(4-tert-butylphenyl)sulfanyl-8-phenyl-octanoic acid; 2-(4-ethylphenyl)sulfonyl-8-phenyl-octanoic acid CAS Name: 2-[(4-tert-butylphenyl)thio]-8-phenyloctanoic acid; 2-(4-ethylphenyl)sulfonyl-8-phenyloctanoic acid IUPAC Name: 2-(4-tert-butylphenyl)sulfanyl-8-phenyloctanoic acid; 2-(4-ethylphenyl)sulfonyl-8-phenyloctanoic acid Traditional Name: 2-[(4-tert-butylphenyl)thio]-8-phenyl-caprylic acid; 2-(4-ethylphenyl)sulfonyl-8-phenyl-caprylic acid Formula: C46H60O6S2 MolecularWeight: 773.095

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=CC=C2)C(=O)O.CC(C)(C)C1=CC=C(C=C1)SC(CCCCCCC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)C(CCCCCCC2=CC=CC=C2)C(=O)O.CC(C)(C)C1=CC=C(C=C1)SC(CCCCCCC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C24H32O2S.C22H28O4S/c1-24(2,3)20-15-17-21(18-16-20)27-22(23(25)26)14-10-5-4-7-11-19-12-8-6-9-13-19;1-2-18-14-16-20(17-15-18)27(25,26)21(22(23)24)13-9-4-3-6-10-19-11-7-5-8-12-19/h6,8-9,12-13,15-18,22H,4-5,7,10-11,14H2,1-3H3,(H,25,26);5,7-8,11-12,14-17,21H,2-4,6,9-10,13H2,1H3,(H,23,24)