(E)-3-(hydroxymethyl)-3,4-bis(oxidanyl)docos-13-ene-2,5-dione

Systemtic Name: (E)-3-(hydroxymethyl)-3,4-bis(oxidanyl)docos-13-ene-2,5-dione Openeye Name: (E)-3,4-dihydroxy-3-(hydroxymethyl)docos-13-ene-2,5-dione CAS Name: (E)-3,4-dihydroxy-3-(hydroxymethyl)-13-docosene-2,5-dione IUPAC Name: (E)-3,4-dihydroxy-3-(hydroxymethyl)docos-13-ene-2,5-dione Traditional Name: (E)-3,4-dihydroxy-3-methylol-docos-13-ene-2,5-dione Formula: C23H42O5 MolecularWeight: 398.57658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)C(C(CO)(C(=O)C)O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)C(C(CO)(C(=O)C)O)O

InChI

InChI=1S/C23H42O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(26)22(27)23(28,19-24)20(2)25/h10-11,22,24,27-28H,3-9,12-19H2,1-2H3/b11-10+