[2-(3,3-dimethyl-1-oxidanyl-2-oxidanylidene-butyl)-5,5-dimethyl-2,3-bis(oxidanyl)-4-oxidanylidene-hexyl] propanoate

Systemtic Name: [2-(3,3-dimethyl-1-oxidanyl-2-oxidanylidene-butyl)-5,5-dimethyl-2,3-bis(oxidanyl)-4-oxidanylidene-hexyl] propanoate Openeye Name: [2,3-dihydroxy-2-(1-hydroxy-3,3-dimethyl-2-oxo-butyl)-5,5-dimethyl-4-oxo-hexyl] propanoate CAS Name: propanoic acid [2,3-dihydroxy-2-(1-hydroxy-3,3-dimethyl-2-oxobutyl)-5,5-dimethyl-4-oxohexyl] ester IUPAC Name: [2,3-dihydroxy-2-(1-hydroxy-3,3-dimethyl-2-oxobutyl)-5,5-dimethyl-4-oxohexyl] propanoate Traditional Name: propionic acid [2,3-dihydroxy-2-(1-hydroxy-2-keto-3,3-dimethyl-butyl)-4-keto-5,5-dimethyl-hexyl] ester Formula: C17H30O7 MolecularWeight: 346.4159

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OCC(C(C(=O)C(C)(C)C)O)(C(C(=O)C(C)(C)C)O)O

Isomeric SMILES

CCC(=O)OCC(C(C(=O)C(C)(C)C)O)(C(C(=O)C(C)(C)C)O)O

InChI

InChI=1S/C17H30O7/c1-8-10(18)24-9-17(23,13(21)11(19)15(2,3)4)14(22)12(20)16(5,6)7/h13-14,21-23H,8-9H2,1-7H3