(E)-12-oxidanyl-2-propan-2-yl-octadec-9-enoate

Systemtic Name: (E)-12-oxidanyl-2-propan-2-yl-octadec-9-enoate Openeye Name: (E)-12-hydroxy-2-isopropyl-octadec-9-enoate CAS Name: (E)-12-hydroxy-2-propan-2-yl-9-octadecenoate IUPAC Name: (E)-12-hydroxy-2-propan-2-yloctadec-9-enoate Traditional Name: (E)-12-hydroxy-2-isopropyl-octadec-9-enoate Formula: C21H39O3- MolecularWeight: 339.53256

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCCCC(C(C)C)C(=O)[O-])O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCCCC(C(C)C)C(=O)[O-])O

InChI

InChI=1S/C21H40O3/c1-4-5-6-12-15-19(22)16-13-10-8-7-9-11-14-17-20(18(2)3)21(23)24/h10,13,18-20,22H,4-9,11-12,14-17H2,1-3H3,(H,23,24)/p-1/b13-10+