methyl 6-[3-[(3-methoxy-3-oxidanylidene-propyl)amino]phenyl]sulfanyl-6-(3-nonylphenyl)-5-oxidanyl-hexanoate

Systemtic Name: methyl 6-[3-[(3-methoxy-3-oxidanylidene-propyl)amino]phenyl]sulfanyl-6-(3-nonylphenyl)-5-oxidanyl-hexanoate Openeye Name: methyl 5-hydroxy-6-[3-[(3-methoxy-3-oxo-propyl)amino]phenyl]sulfanyl-6-(3-nonylphenyl)hexanoate CAS Name: 5-hydroxy-6-[[3-[(3-methoxy-3-oxopropyl)amino]phenyl]thio]-6-(3-nonylphenyl)hexanoic acid methyl ester IUPAC Name: methyl 5-hydroxy-6-[3-[(3-methoxy-3-oxopropyl)amino]phenyl]sulfanyl-6-(3-nonylphenyl)hexanoate Traditional Name: 5-hydroxy-6-[[3-[(3-keto-3-methoxy-propyl)amino]phenyl]thio]-6-(3-nonylphenyl)hexanoic acid methyl ester Formula: C32H47NO5S MolecularWeight: 557.78428

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H47NO5S/c1-4-5-6-7-8-9-10-14-25-15-11-16-26(23-25)32(29(34)19-13-20-30(35)37-2)39-28-18-12-17-27(24-28)33-22-21-31(36)38-3/h11-12,15-18,23-24,29,32-34H,4-10,13-14,19-22H2,1-3H3