2-[3-(carboxymethyl)phenyl]sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid

Systemtic Name: 2-[3-(carboxymethyl)phenyl]sulfanyl-2-oxidanyl-3-[2-(8-phenyloctyl)phenyl]propanoic acid Openeye Name: 2-[3-(carboxymethyl)phenyl]sulfanyl-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid CAS Name: 2-[[3-(carboxymethyl)phenyl]thio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid IUPAC Name: 2-[3-(carboxymethyl)phenyl]sulfanyl-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propanoic acid Traditional Name: 2-[[3-(carboxymethyl)phenyl]thio]-2-hydroxy-3-[2-(8-phenyloctyl)phenyl]propionic acid Formula: C31H36O5S MolecularWeight: 520.67954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2CC(C(=O)O)(O)SC3=CC=CC(=C3)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCC2=CC=CC=C2CC(C(=O)O)(O)SC3=CC=CC(=C3)CC(=O)O

InChI

InChI=1S/C31H36O5S/c32-29(33)22-25-16-12-20-28(21-25)37-31(36,30(34)35)23-27-19-11-10-18-26(27)17-9-4-2-1-3-6-13-24-14-7-5-8-15-24/h5,7-8,10-12,14-16,18-21,36H,1-4,6,9,13,17,22-23H2,(H,32,33)(H,34,35)