(1S,3S)-3-(hydroxymethyl)-5-oxidanylidene-cyclohexane-1-carboxylic acid

Systemtic Name: (1S,3S)-3-(hydroxymethyl)-5-oxidanylidene-cyclohexane-1-carboxylic acid Openeye Name: (1S,3S)-3-(hydroxymethyl)-5-oxo-cyclohexanecarboxylic acid CAS Name: (1S,3S)-3-(hydroxymethyl)-5-oxo-1-cyclohexanecarboxylic acid IUPAC Name: (1S,3S)-3-(hydroxymethyl)-5-oxocyclohexane-1-carboxylic acid Traditional Name: (1S,5S)-3-keto-5-methylol-cyclohexanecarboxylic acid Formula: C8H12O4 MolecularWeight: 172.17848

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CC(=O)CC1C(=O)O)CO

Isomeric SMILES

C1[C@@H](CC(=O)C[C@H]1C(=O)O)CO

InChI

InChI=1S/C8H12O4/c9-4-5-1-6(8(11)12)3-7(10)2-5/h5-6,9H,1-4H2,(H,11,12)/t5-,6-/m0/s1