5-acetyloxy-3-octadecan-9-yloxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: 5-acetyloxy-3-octadecan-9-yloxycarbonyl-3-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: 5-acetoxy-3-hydroxy-3-(1-octyldecoxycarbonyl)-5-oxo-pentanoate CAS Name: 5-acetyloxy-3-hydroxy-3-[octadecan-9-yloxy(oxo)methyl]-5-oxopentanoate IUPAC Name: 5-acetyloxy-3-hydroxy-3-octadecan-9-yloxycarbonyl-5-oxopentanoate Traditional Name: 5-acetoxy-3-hydroxy-5-keto-3-(1-octyldecoxycarbonyl)valerate Formula: C26H45O8- MolecularWeight: 485.6307

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCCCC)OC(=O)C(CC(=O)[O-])(CC(=O)OC(=O)C)O

Isomeric SMILES

CCCCCCCCCC(CCCCCCCC)OC(=O)C(CC(=O)[O-])(CC(=O)OC(=O)C)O

InChI

InChI=1S/C26H46O8/c1-4-6-8-10-12-14-16-18-22(17-15-13-11-9-7-5-2)34-25(31)26(32,19-23(28)29)20-24(30)33-21(3)27/h22,32H,4-20H2,1-3H3,(H,28,29)/p-1