(E)-4-(hydroxymethyl)-3,20-bis(oxidanyl)-2-oxidanylidene-icos-6-enoic acid

Systemtic Name: (E)-4-(hydroxymethyl)-3,20-bis(oxidanyl)-2-oxidanylidene-icos-6-enoic acid Openeye Name: (E)-3,20-dihydroxy-4-(hydroxymethyl)-2-oxo-icos-6-enoic acid CAS Name: (E)-3,20-dihydroxy-4-(hydroxymethyl)-2-oxo-6-eicosenoic acid IUPAC Name: (E)-3,20-dihydroxy-4-(hydroxymethyl)-2-oxoicos-6-enoic acid Traditional Name: (E)-3,20-dihydroxy-2-keto-4-methylol-eicos-6-enoic acid Formula: C21H38O6 MolecularWeight: 386.52282

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCCCC=CCC(CO)C(C(=O)C(=O)O)O)CCCCCCO

Isomeric SMILES

C(CCCCCC/C=C/CC(CO)C(C(=O)C(=O)O)O)CCCCCCO

InChI

InChI=1S/C21H38O6/c22-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18(17-23)19(24)20(25)21(26)27/h11,13,18-19,22-24H,1-10,12,14-17H2,(H,26,27)/b13-11+