(E)-3-(hydroxymethyl)-2,3-bis(oxidanyl)-1-phenyl-nonadec-1-en-4-one

Systemtic Name: (E)-3-(hydroxymethyl)-2,3-bis(oxidanyl)-1-phenyl-nonadec-1-en-4-one Openeye Name: (E)-2,3-dihydroxy-3-(hydroxymethyl)-1-phenyl-nonadec-1-en-4-one CAS Name: (E)-2,3-dihydroxy-3-(hydroxymethyl)-1-phenyl-1-nonadecen-4-one IUPAC Name: (E)-2,3-dihydroxy-3-(hydroxymethyl)-1-phenylnonadec-1-en-4-one Traditional Name: (E)-2,3-dihydroxy-3-methylol-1-phenyl-nonadec-1-en-4-one Formula: C26H42O4 MolecularWeight: 418.60928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C(CO)(C(=CC1=CC=CC=C1)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C(CO)(/C(=C\C1=CC=CC=C1)/O)O

InChI

InChI=1S/C26H42O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-20-24(28)26(30,22-27)25(29)21-23-18-15-14-16-19-23/h14-16,18-19,21,27,29-30H,2-13,17,20,22H2,1H3/b25-21+