3-[(3E,5E)-2-(2-carboxyethylsulfanyl)-1-oxidanyl-16-phenyl-hexadeca-3,5-dienyl]benzoic acid

Systemtic Name: 3-[(3E,5E)-2-(2-carboxyethylsulfanyl)-1-oxidanyl-16-phenyl-hexadeca-3,5-dienyl]benzoic acid Openeye Name: 3-[(3E,5E)-2-(2-carboxyethylsulfanyl)-1-hydroxy-16-phenyl-hexadeca-3,5-dienyl]benzoic acid CAS Name: 3-[(3E,5E)-2-(2-carboxyethylthio)-1-hydroxy-16-phenylhexadeca-3,5-dienyl]benzoic acid IUPAC Name: 3-[(3E,5E)-2-(2-carboxyethylsulfanyl)-1-hydroxy-16-phenylhexadeca-3,5-dienyl]benzoic acid Traditional Name: 3-[(3E,5E)-2-(2-carboxyethylthio)-1-hydroxy-16-phenyl-hexadeca-3,5-dienyl]benzoic acid Formula: C32H42O5S MolecularWeight: 538.73788

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCCCCCCCCC=CC=CC(C(C2=CC=CC(=C2)C(=O)O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCCCCCCCC/C=C/C=C/C(C(C2=CC=CC(=C2)C(=O)O)O)SCCC(=O)O

InChI

InChI=1S/C32H42O5S/c33-30(34)23-24-38-29(31(35)27-20-16-21-28(25-27)32(36)37)22-15-10-8-6-4-2-1-3-5-7-9-12-17-26-18-13-11-14-19-26/h8,10-11,13-16,18-22,25,29,31,35H,1-7,9,12,17,23-24H2,(H,33,34)(H,36,37)/b10-8+,22-15+