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

Systemtic Name: 3-(3-cyclopentyloxy-3-oxidanylidene-propyl)sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 3-[3-(cyclopentoxy)-3-oxo-propyl]sulfanyl-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 3-[(3-cyclopentyloxy-3-oxopropyl)thio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 3-(3-cyclopentyloxy-3-oxopropyl)sulfanyl-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 3-[[3-(cyclopentoxy)-3-keto-propyl]thio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C31H42O5S MolecularWeight: 526.72718

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)CCSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)O)O

Isomeric SMILES

C1CCC(C1)OC(=O)CCSC(C2=CC=CC=C2CCCCCCCCC3=CC=CC=C3)C(C(=O)O)O

InChI

InChI=1S/C31H42O5S/c32-28(36-26-19-11-12-20-26)22-23-37-30(29(33)31(34)35)27-21-13-10-18-25(27)17-9-4-2-1-3-6-14-24-15-7-5-8-16-24/h5,7-8,10,13,15-16,18,21,26,29-30,33H,1-4,6,9,11-12,14,17,19-20,22-23H2,(H,34,35)