(5S,6R,7E,9E,11Z,14Z)-5-oxidanyl-6-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]sulfanyl-icosa-7,9,11,14-tetraenoic acid

Systemtic Name: (5S,6R,7E,9E,11Z,14Z)-5-oxidanyl-6-[3-oxidanyl-2,3-bis(oxidanylidene)propyl]sulfanyl-icosa-7,9,11,14-tetraenoic acid Openeye Name: (5S,6R,7E,9E,11Z,14Z)-5-hydroxy-6-(3-hydroxy-2,3-dioxo-propyl)sulfanyl-icosa-7,9,11,14-tetraenoic acid CAS Name: (5S,6R,7E,9E,11Z,14Z)-5-hydroxy-6-[(3-hydroxy-2,3-dioxopropyl)thio]eicosa-7,9,11,14-tetraenoic acid IUPAC Name: (5S,6R,7E,9E,11Z,14Z)-5-hydroxy-6-(3-hydroxy-2,3-dioxopropyl)sulfanylicosa-7,9,11,14-tetraenoic acid Traditional Name: (5S,6R,7E,9E,11Z,14Z)-5-hydroxy-6-[(3-hydroxy-2,3-diketo-propyl)thio]eicosa-7,9,11,14-tetraenoic acid Formula: C23H34O6S MolecularWeight: 438.57746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC=CC=CC=CC(C(CCCC(=O)O)O)SCC(=O)C(=O)O

Isomeric SMILES

CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)SCC(=O)C(=O)O

InChI

InChI=1S/C23H34O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-21(30-18-20(25)23(28)29)19(24)15-14-17-22(26)27/h6-7,9-13,16,19,21,24H,2-5,8,14-15,17-18H2,1H3,(H,26,27)(H,28,29)/b7-6-,10-9-,12-11+,16-13+/t19-,21+/m0/s1