methyl 6-(4-nonylphenyl)-5-oxidanyl-6-[3-(3-oxidanylpropanoylamino)phenyl]sulfanyl-hexanoate

Systemtic Name: methyl 6-(4-nonylphenyl)-5-oxidanyl-6-[3-(3-oxidanylpropanoylamino)phenyl]sulfanyl-hexanoate Openeye Name: methyl 5-hydroxy-6-[3-(3-hydroxypropanoylamino)phenyl]sulfanyl-6-(4-nonylphenyl)hexanoate CAS Name: 5-hydroxy-6-[[3-[(3-hydroxy-1-oxopropyl)amino]phenyl]thio]-6-(4-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-6-[3-(3-hydroxypropanoylamino)phenyl]sulfanyl-6-(4-nonylphenyl)hexanoate Traditional Name: 5-hydroxy-6-[[3-(3-hydroxypropanoylamino)phenyl]thio]-6-(4-nonylphenyl)hexanoic acid methyl ester Formula: C31H45NO5S MolecularWeight: 543.7577

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H45NO5S/c1-3-4-5-6-7-8-9-12-24-17-19-25(20-18-24)31(28(34)15-11-16-30(36)37-2)38-27-14-10-13-26(23-27)32-29(35)21-22-33/h10,13-14,17-20,23,28,31,33-34H,3-9,11-12,15-16,21-22H2,1-2H3,(H,32,35)