(E)-2-(hydroxymethyl)-14-oxidanyl-icos-6-enoic acid

Systemtic Name: (E)-2-(hydroxymethyl)-14-oxidanyl-icos-6-enoic acid Openeye Name: (E)-14-hydroxy-2-(hydroxymethyl)icos-6-enoic acid CAS Name: (E)-14-hydroxy-2-(hydroxymethyl)-6-eicosenoic acid IUPAC Name: (E)-14-hydroxy-2-(hydroxymethyl)icos-6-enoic acid Traditional Name: (E)-14-hydroxy-2-methylol-eicos-6-enoic acid Formula: C21H40O4 MolecularWeight: 356.5399

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CCCCCCC=CCCCC(CO)C(=O)O)O

Isomeric SMILES

CCCCCCC(CCCCCC/C=C/CCCC(CO)C(=O)O)O

InChI

InChI=1S/C21H40O4/c1-2-3-4-13-16-20(23)17-14-11-9-7-5-6-8-10-12-15-19(18-22)21(24)25/h6,8,19-20,22-23H,2-5,7,9-18H2,1H3,(H,24,25)/b8-6+