(3S,4S)-3,4-bis(hydroxymethyl)-4-prop-2-ynyl-cyclohexan-1-one

Systemtic Name: (3S,4S)-3,4-bis(hydroxymethyl)-4-prop-2-ynyl-cyclohexan-1-one Openeye Name: (3S,4S)-3,4-bis(hydroxymethyl)-4-prop-2-ynyl-cyclohexanone CAS Name: (3S,4S)-3,4-bis(hydroxymethyl)-4-prop-2-ynyl-1-cyclohexanone IUPAC Name: (3S,4S)-3,4-bis(hydroxymethyl)-4-prop-2-ynylcyclohexan-1-one Traditional Name: (3S,4S)-3,4-dimethylol-4-propargyl-cyclohexanone Formula: C11H16O3 MolecularWeight: 196.24294

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Descriptors Computed from Structure

Canonical SMILES:

C#CCC1(CCC(=O)CC1CO)CO

Isomeric SMILES

C#CC[C@]1(CCC(=O)C[C@@H]1CO)CO

InChI

InChI=1S/C11H16O3/c1-2-4-11(8-13)5-3-10(14)6-9(11)7-12/h1,9,12-13H,3-8H2/t9-,11+/m1/s1