4-[[4-(hydroxymethyl)-1,2-dimethyl-cyclohexyl]methoxycarbonyl]benzoic acid

Systemtic Name: 4-[[4-(hydroxymethyl)-1,2-dimethyl-cyclohexyl]methoxycarbonyl]benzoic acid Openeye Name: 4-[[4-(hydroxymethyl)-1,2-dimethyl-cyclohexyl]methoxycarbonyl]benzoic acid CAS Name: 4-[[4-(hydroxymethyl)-1,2-dimethylcyclohexyl]methoxy-oxomethyl]benzoic acid IUPAC Name: 4-[[4-(hydroxymethyl)-1,2-dimethylcyclohexyl]methoxycarbonyl]benzoic acid Traditional Name: 4-[(1,2-dimethyl-4-methylol-cyclohexyl)methoxycarbonyl]benzoic acid Formula: C18H24O5 MolecularWeight: 320.38016

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1(C)COC(=O)C2=CC=C(C=C2)C(=O)O)CO

Isomeric SMILES

CC1CC(CCC1(C)COC(=O)C2=CC=C(C=C2)C(=O)O)CO

InChI

InChI=1S/C18H24O5/c1-12-9-13(10-19)7-8-18(12,2)11-23-17(22)15-5-3-14(4-6-15)16(20)21/h3-6,12-13,19H,7-11H2,1-2H3,(H,20,21)