3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid

Systemtic Name: 3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 2-hydroxy-3-(3-methoxy-3-oxo-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 2-hydroxy-3-[(3-methoxy-3-oxopropyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 2-hydroxy-3-(3-methoxy-3-oxopropyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 2-hydroxy-3-[(3-keto-3-methoxy-propyl)thio]-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C27H36O5S MolecularWeight: 472.63674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)C(C(=O)O)O

Isomeric SMILES

COC(=O)CCSC(C1=CC=CC=C1CCCCCCCCC2=CC=CC=C2)C(C(=O)O)O

InChI

InChI=1S/C27H36O5S/c1-32-24(28)19-20-33-26(25(29)27(30)31)23-18-12-11-17-22(23)16-10-5-3-2-4-7-13-21-14-8-6-9-15-21/h6,8-9,11-12,14-15,17-18,25-26,29H,2-5,7,10,13,16,19-20H2,1H3,(H,30,31)