6-[1,2-bis(oxidanyl)-3-oxidanylidene-hexadecan-2-yl]-6-[(E)-hexadec-9-enoyl]oxane-2,5-dione

Systemtic Name: 6-[1,2-bis(oxidanyl)-3-oxidanylidene-hexadecan-2-yl]-6-[(E)-hexadec-9-enoyl]oxane-2,5-dione Openeye Name: 6-[(E)-hexadec-9-enoyl]-6-[1-hydroxy-1-(hydroxymethyl)-2-oxo-pentadecyl]tetrahydropyran-2,5-dione CAS Name: 6-(1,2-dihydroxy-3-oxohexadecan-2-yl)-6-[(E)-1-oxohexadec-9-enyl]oxane-2,5-dione IUPAC Name: 6-(1,2-dihydroxy-3-oxohexadecan-2-yl)-6-[(E)-hexadec-9-enoyl]oxane-2,5-dione Traditional Name: 6-[(E)-hexadec-9-enoyl]-6-(1-hydroxy-2-keto-1-methylol-pentadecyl)tetrahydropyran-2,5-quinone Formula: C37H64O7 MolecularWeight: 620.89986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)C(CO)(C1(C(=O)CCC(=O)O1)C(=O)CCCCCCCC=CCCCCCC)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)C(CO)(C1(C(=O)CCC(=O)O1)C(=O)CCCCCCC/C=C/CCCCCC)O

InChI

InChI=1S/C37H64O7/c1-3-5-7-9-11-13-15-16-18-20-22-24-26-28-33(40)37(34(41)29-30-35(42)44-37)36(43,31-38)32(39)27-25-23-21-19-17-14-12-10-8-6-4-2/h13,15,38,43H,3-12,14,16-31H2,1-2H3/b15-13+