(E)-2-(hydroxymethyl)-2,3-bis(oxidanyl)-4-oxidanylidene-henicos-12-enal

Systemtic Name: (E)-2-(hydroxymethyl)-2,3-bis(oxidanyl)-4-oxidanylidene-henicos-12-enal Openeye Name: (E)-2,3-dihydroxy-2-(hydroxymethyl)-4-oxo-henicos-12-enal CAS Name: (E)-2,3-dihydroxy-2-(hydroxymethyl)-4-oxo-12-heneicosenal IUPAC Name: (E)-2,3-dihydroxy-2-(hydroxymethyl)-4-oxohenicos-12-enal Traditional Name: (E)-2,3-dihydroxy-4-keto-2-methylol-heneicos-12-enal Formula: C22H40O5 MolecularWeight: 384.55

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H40O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(25)21(26)22(27,18-23)19-24/h9-10,18,21,24,26-27H,2-8,11-17,19H2,1H3/b10-9+