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

Systemtic Name: (E)-18-hexadecanoyl-17-(hydroxymethyl)-17,18-bis(oxidanyl)hexatriacont-27-ene-16,19-dione Openeye Name: (E)-18-hexadecanoyl-17,18-dihydroxy-17-(hydroxymethyl)hexatriacont-27-ene-16,19-dione CAS Name: (E)-17,18-dihydroxy-17-(hydroxymethyl)-18-(1-oxohexadecyl)-27-hexatriacontene-16,19-dione IUPAC Name: (E)-18-hexadecanoyl-17,18-dihydroxy-17-(hydroxymethyl)hexatriacont-27-ene-16,19-dione Traditional Name: (E)-18-hexadecanoyl-17,18-dihydroxy-17-methylol-hexatriacont-27-ene-16,19-dione Formula: C53H100O6 MolecularWeight: 833.3575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C53H100O6/c1-4-7-10-13-16-19-22-25-26-29-32-35-38-41-44-47-51(57)53(59,50(56)46-43-40-37-34-31-28-24-21-18-15-12-9-6-3)52(58,48-54)49(55)45-42-39-36-33-30-27-23-20-17-14-11-8-5-2/h25-26,54,58-59H,4-24,27-48H2,1-3H3/b26-25+