(E)-18-(hydroxymethyl)-17,18-bis(oxidanyl)hexatriacont-27-ene-16,19-dione

Systemtic Name: (E)-18-(hydroxymethyl)-17,18-bis(oxidanyl)hexatriacont-27-ene-16,19-dione Openeye Name: (E)-17,18-dihydroxy-18-(hydroxymethyl)hexatriacont-27-ene-16,19-dione CAS Name: (E)-17,18-dihydroxy-18-(hydroxymethyl)-27-hexatriacontene-16,19-dione IUPAC Name: (E)-17,18-dihydroxy-18-(hydroxymethyl)hexatriacont-27-ene-16,19-dione Traditional Name: (E)-17,18-dihydroxy-18-methylol-hexatriacont-27-ene-16,19-dione Formula: C37H70O5 MolecularWeight: 594.9487

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-35(40)37(42,33-38)36(41)34(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,36,38,41-42H,3-16,19-33H2,1-2H3/b18-17+