(1S,3R)-1,3,5-trimethyl-5-phenethyloxycarbonyl-cyclohexane-1,3-dicarboxylic acid

Systemtic Name: (1S,3R)-1,3,5-trimethyl-5-phenethyloxycarbonyl-cyclohexane-1,3-dicarboxylic acid Openeye Name: (1S,3R)-1,3,5-trimethyl-5-phenethyloxycarbonyl-cyclohexane-1,3-dicarboxylic acid CAS Name: (1S,3R)-1,3,5-trimethyl-5-[oxo(phenethyloxy)methyl]cyclohexane-1,3-dicarboxylic acid IUPAC Name: (1S,3R)-1,3,5-trimethyl-5-phenethyloxycarbonylcyclohexane-1,3-dicarboxylic acid Traditional Name: (1S,3R)-1,3,5-trimethyl-5-phenethyloxycarbonyl-cyclohexane-1,3-dicarboxylic acid Formula: C20H26O6 MolecularWeight: 362.41684

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(CC(C1)(C)C(=O)OCCC2=CC=CC=C2)(C)C(=O)O)C(=O)O

Isomeric SMILES

C[C@]1(C[C@](CC(C1)(C)C(=O)OCCC2=CC=CC=C2)(C)C(=O)O)C(=O)O

InChI

InChI=1S/C20H26O6/c1-18(15(21)22)11-19(2,16(23)24)13-20(3,12-18)17(25)26-10-9-14-7-5-4-6-8-14/h4-8H,9-13H2,1-3H3,(H,21,22)(H,23,24)/t18-,19+,20?