(E)-20-(hydroxymethyl)-19,20-bis(oxidanyl)octatriacont-9-ene-18,21-dione

Systemtic Name: (E)-20-(hydroxymethyl)-19,20-bis(oxidanyl)octatriacont-9-ene-18,21-dione Openeye Name: (E)-19,20-dihydroxy-20-(hydroxymethyl)octatriacont-9-ene-18,21-dione CAS Name: (E)-19,20-dihydroxy-20-(hydroxymethyl)-9-octatriacontene-18,21-dione IUPAC Name: (E)-19,20-dihydroxy-20-(hydroxymethyl)octatriacont-9-ene-18,21-dione Traditional Name: (E)-19,20-dihydroxy-20-methylol-octatriacont-9-ene-18,21-dione Formula: C39H74O5 MolecularWeight: 623.00186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C(CO)(C(C(=O)CCCCCCCC=CCCCCCCCC)O)O

Isomeric SMILES

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

InChI

InChI=1S/C39H74O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36(41)38(43)39(44,35-40)37(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17,19,38,40,43-44H,3-16,18,20-35H2,1-2H3/b19-17+