4-[[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-Carboxy-1-Hydroxybutyl]-2,4,6,9-Pentadecatetraen-1-Yl]Thio]-Benzoic Acid
[CAS# 154978-38-8]

Identification

• Name: 4-[[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-Carboxy-1-Hydroxybutyl]-2,4,6,9-Pentadecatetraen-1-Yl]Thio]-Benzoic Acid
• Synonyms: 4-[[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-Carboxy-1-Hydroxybutyl]-2,4,6,9-Pentadecatetraen-1-Yl]Thio]Benzoicacid; 4-[[(1R,2E,4E,6Z,9Z)-1-[(1S)-4-CARBOXY-1-HYDROXYBUTYL]-2,4,6,9-PENTADECATETRAENYL]THIO]-BENZOIC ACID; 6(R)-(4-CARBOXYPHENYLTHIO)-5(S)-HYDROXY-7(E),9(E),11(Z),14(Z)-EICOSATETRAENOIC ACID
• Molecular Formula: C₂₇H₃₆O₅S
• Molecular Weight: 472.64
• CAS Registry Number: 154978-38-8
• SMILES: CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)Sc1ccc(cc1)C(=O)O
• InChI: 1S/C27H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(28)15-14-17-26(29)30)33-23-20-18-22(19-21-23)27(31)32/h6-7,9-13,16,18-21,24-25,28H,2-5,8,14-15,17H2,1H3,(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+