(5S,6Z,8E,10E,12R,14Z)-5,12-bis(oxidanyl)-3-sulfanyl-icosa-6,8,10,14-tetraenoic acid

Systemtic Name: (5S,6Z,8E,10E,12R,14Z)-5,12-bis(oxidanyl)-3-sulfanyl-icosa-6,8,10,14-tetraenoic acid Openeye Name: (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-3-sulfanyl-icosa-6,8,10,14-tetraenoic acid CAS Name: (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-3-mercaptoeicosa-6,8,10,14-tetraenoic acid IUPAC Name: (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-3-sulfanylicosa-6,8,10,14-tetraenoic acid Traditional Name: (5S,6Z,8E,10E,12R,14Z)-5,12-dihydroxy-3-mercapto-eicosa-6,8,10,14-tetraenoic acid Formula: C20H32O4S MolecularWeight: 368.53068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC=CCC(C=CC=CC=CC(CC(CC(=O)O)S)O)O

Isomeric SMILES

CCCCC/C=C\C[C@H](/C=C/C=C/C=C\[C@H](CC(CC(=O)O)S)O)O

InChI

InChI=1S/C20H32O4S/c1-2-3-4-5-6-9-12-17(21)13-10-7-8-11-14-18(22)15-19(25)16-20(23)24/h6-11,13-14,17-19,21-22,25H,2-5,12,15-16H2,1H3,(H,23,24)/b8-7+,9-6-,13-10+,14-11-/t17-,18-,19?/m1/s1