2,3-diethanoyl-3-[(E)-11-oxidanyl-2-oxidanylidene-heptadec-8-en-3-yl]oxirane-2-carboxylic acid

Systemtic Name: 2,3-diethanoyl-3-[(E)-11-oxidanyl-2-oxidanylidene-heptadec-8-en-3-yl]oxirane-2-carboxylic acid Openeye Name: 2,3-diacetyl-3-[(E)-1-acetyl-9-hydroxy-pentadec-6-enyl]oxirane-2-carboxylic acid CAS Name: 2,3-diacetyl-3-[(E)-11-hydroxy-2-oxoheptadec-8-en-3-yl]-2-oxiranecarboxylic acid IUPAC Name: 2,3-diacetyl-3-[(E)-11-hydroxy-2-oxoheptadec-8-en-3-yl]oxirane-2-carboxylic acid Traditional Name: 2,3-diacetyl-3-[(E)-1-acetyl-9-hydroxy-pentadec-6-enyl]oxirane-2-carboxylic acid Formula: C24H38O7 MolecularWeight: 438.55432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC=CCCCCC(C(=O)C)C1(C(O1)(C(=O)C)C(=O)O)C(=O)C)O

Isomeric SMILES

CCCCCCC(C/C=C/CCCCC(C(=O)C)C1(C(O1)(C(=O)C)C(=O)O)C(=O)C)O

InChI

InChI=1S/C24H38O7/c1-5-6-7-11-14-20(28)15-12-9-8-10-13-16-21(17(2)25)23(18(3)26)24(31-23,19(4)27)22(29)30/h9,12,20-21,28H,5-8,10-11,13-16H2,1-4H3,(H,29,30)/b12-9+