(E)-2-(2-chloranylethanoyl)-12-oxidanyl-octadec-9-enoic acid

Systemtic Name: (E)-2-(2-chloranylethanoyl)-12-oxidanyl-octadec-9-enoic acid Openeye Name: (E)-2-(2-chloroacetyl)-12-hydroxy-octadec-9-enoic acid CAS Name: (E)-2-(2-chloro-1-oxoethyl)-12-hydroxy-9-octadecenoic acid IUPAC Name: (E)-2-(2-chloroacetyl)-12-hydroxyoctadec-9-enoic acid Traditional Name: (E)-2-(2-chloroacetyl)-12-hydroxy-octadec-9-enoic acid Formula: C20H35ClO4 MolecularWeight: 374.9425

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCC(C(=O)CCl)C(=O)O)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCC(C(=O)CCl)C(=O)O)O

InChI

InChI=1S/C20H35ClO4/c1-2-3-4-10-13-17(22)14-11-8-6-5-7-9-12-15-18(20(24)25)19(23)16-21/h8,11,17-18,22H,2-7,9-10,12-16H2,1H3,(H,24,25)/b11-8+