2-[(1S,2R,3R,4S)-2-(carboxymethyl)-3-methyl-4-oxidanyl-cyclohexyl]ethanoic acid

Systemtic Name: 2-[(1S,2R,3R,4S)-2-(carboxymethyl)-3-methyl-4-oxidanyl-cyclohexyl]ethanoic acid Openeye Name: 2-[(1S,2R,3R,4S)-2-(carboxymethyl)-4-hydroxy-3-methyl-cyclohexyl]acetic acid CAS Name: 2-[(1S,2R,3R,4S)-2-(carboxymethyl)-4-hydroxy-3-methylcyclohexyl]acetic acid IUPAC Name: 2-[(1S,2R,3R,4S)-2-(carboxymethyl)-4-hydroxy-3-methylcyclohexyl]acetic acid Traditional Name: 2-[(1S,2R,3R,4S)-2-(carboxymethyl)-4-hydroxy-3-methyl-cyclohexyl]acetic acid Formula: C11H18O5 MolecularWeight: 230.25762

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(C1CC(=O)O)CC(=O)O)O

Isomeric SMILES

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

InChI

InChI=1S/C11H18O5/c1-6-8(5-11(15)16)7(4-10(13)14)2-3-9(6)12/h6-9,12H,2-5H2,1H3,(H,13,14)(H,15,16)/t6-,7+,8+,9+/m1/s1