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

Systemtic Name: 3-(3-methoxy-3-oxidanylidene-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 3-(3-methoxy-3-oxo-propyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 3-[(3-methoxy-3-oxopropyl)thio]-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 3-(3-methoxy-3-oxopropyl)sulfanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 3-[(3-keto-3-methoxy-propyl)thio]-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C27H36O4S MolecularWeight: 456.63734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36O4S/c1-31-27(30)19-20-32-25(21-26(28)29)24-18-12-11-17-23(24)16-10-5-3-2-4-7-13-22-14-8-6-9-15-22/h6,8-9,11-12,14-15,17-18,25H,2-5,7,10,13,16,19-21H2,1H3,(H,28,29)