(E)-icos-3-ene-1,2-diol; prop-1-en-2-olate

Systemtic Name: (E)-icos-3-ene-1,2-diol; prop-1-en-2-olate Openeye Name: (E)-icos-3-ene-1,2-diol; prop-1-en-2-olate CAS Name: (E)-3-eicosene-1,2-diol; 1-propen-2-olate IUPAC Name: (E)-icos-3-ene-1,2-diol; prop-1-en-2-olate Traditional Name: (E)-eicos-3-ene-1,2-diol; prop-1-en-2-olate Formula: C23H45O3- MolecularWeight: 369.6016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC=CC(CO)O.CC(=C)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC/C=C/C(CO)O.CC(=C)[O-]

InChI

InChI=1S/C20H40O2.C3H6O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(22)19-21;1-3(2)4/h17-18,20-22H,2-16,19H2,1H3;4H,1H2,2H3/p-1/b18-17+;