1-oxidanyl-4-oxidanylidene-5-propyl-3,3-bis(2-propylpentanoyl)octan-2-olate

Systemtic Name: 1-oxidanyl-4-oxidanylidene-5-propyl-3,3-bis(2-propylpentanoyl)octan-2-olate Openeye Name: 1-hydroxy-4-oxo-5-propyl-3,3-bis(2-propylpentanoyl)octan-2-olate CAS Name: 1-hydroxy-4-oxo-3,3-bis(1-oxo-2-propylpentyl)-5-propyl-2-octanolate IUPAC Name: 1-hydroxy-4-oxo-5-propyl-3,3-bis(2-propylpentanoyl)octan-2-olate Traditional Name: 1-hydroxy-4-keto-5-propyl-3,3-bis(2-propylpentanoyl)octan-2-olate Formula: C27H49O5- MolecularWeight: 453.67496

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)C(C(CO)[O-])(C(=O)C(CCC)CCC)C(=O)C(CCC)CCC

Isomeric SMILES

CCCC(CCC)C(=O)C(C(CO)[O-])(C(=O)C(CCC)CCC)C(=O)C(CCC)CCC

InChI

InChI=1S/C27H49O5/c1-7-13-20(14-8-2)24(30)27(23(29)19-28,25(31)21(15-9-3)16-10-4)26(32)22(17-11-5)18-12-6/h20-23,28H,7-19H2,1-6H3/q-1