propane-1,2,3-triol; 3,3,5-trimethylcyclohexan-1-one

Systemtic Name: propane-1,2,3-triol; 3,3,5-trimethylcyclohexan-1-one Openeye Name: glycerol; 3,3,5-trimethylcyclohexanone CAS Name: propane-1,2,3-triol; 3,3,5-trimethyl-1-cyclohexanone IUPAC Name: propane-1,2,3-triol; 3,3,5-trimethylcyclohexan-1-one Traditional Name: glycerol; 3,3,5-trimethylcyclohexanone Formula: C12H24O4 MolecularWeight: 232.31656

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(=O)CC(C1)(C)C.C(C(CO)O)O

Isomeric SMILES

CC1CC(=O)CC(C1)(C)C.C(C(CO)O)O

InChI

InChI=1S/C9H16O.C3H8O3/c1-7-4-8(10)6-9(2,3)5-7;4-1-3(6)2-5/h7H,4-6H2,1-3H3;3-6H,1-2H2