methyl 6-(3-acetamidophenyl)sulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoate

Systemtic Name: methyl 6-(3-acetamidophenyl)sulfanyl-6-(4-nonylphenyl)-5-oxidanyl-hexanoate Openeye Name: methyl 6-(3-acetamidophenyl)sulfanyl-5-hydroxy-6-(4-nonylphenyl)hexanoate CAS Name: 6-[(3-acetamidophenyl)thio]-5-hydroxy-6-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 6-(3-acetamidophenyl)sulfanyl-5-hydroxy-6-(4-nonylphenyl)hexanoate Traditional Name: 6-[(3-acetamidophenyl)thio]-5-hydroxy-6-(4-nonylphenyl)hexanoic acid methyl ester Formula: C30H43NO4S MolecularWeight: 513.73172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)OC)O)SC2=CC=CC(=C2)NC(=O)C

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C(C(CCCC(=O)OC)O)SC2=CC=CC(=C2)NC(=O)C

InChI

InChI=1S/C30H43NO4S/c1-4-5-6-7-8-9-10-13-24-18-20-25(21-19-24)30(28(33)16-12-17-29(34)35-3)36-27-15-11-14-26(22-27)31-23(2)32/h11,14-15,18-22,28,30,33H,4-10,12-13,16-17H2,1-3H3,(H,31,32)