O2-methyl O1-(phenylmethyl) (1S,2R,3S)-3-methylcyclohexane-1,2-dicarboxylate

Systemtic Name: O2-methyl O1-(phenylmethyl) (1S,2R,3S)-3-methylcyclohexane-1,2-dicarboxylate Openeye Name: O1-benzyl O2-methyl (1S,2R,3S)-3-methylcyclohexane-1,2-dicarboxylate CAS Name: (1S,2R,3S)-3-methylcyclohexane-1,2-dicarboxylic acid O2-methyl ester O1-(phenylmethyl) ester IUPAC Name: 1-O-benzyl 2-O-methyl (1S,2R,3S)-3-methylcyclohexane-1,2-dicarboxylate Traditional Name: (1S,2R,3S)-3-methylcyclohexane-1,2-dicarboxylic acid O1-benzyl ester O2-methyl ester Formula: C17H22O4 MolecularWeight: 290.35418

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C(=O)OC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C[C@H]1CCC[C@@H]([C@@H]1C(=O)OC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H22O4/c1-12-7-6-10-14(15(12)17(19)20-2)16(18)21-11-13-8-4-3-5-9-13/h3-5,8-9,12,14-15H,6-7,10-11H2,1-2H3/t12-,14-,15+/m0/s1