dimethyl 2-[(S)-[(1S)-2-oxidanylidenecyclohexyl]-phenyl-methyl]propanedioate

Systemtic Name: dimethyl 2-[(S)-[(1S)-2-oxidanylidenecyclohexyl]-phenyl-methyl]propanedioate Openeye Name: dimethyl 2-[(S)-[(1S)-2-oxocyclohexyl]-phenyl-methyl]propanedioate CAS Name: 2-[(S)-[(1S)-2-oxocyclohexyl]-phenylmethyl]propanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[(S)-[(1S)-2-oxocyclohexyl]-phenylmethyl]propanedioate Traditional Name: 2-[(S)-[(1S)-2-ketocyclohexyl]-phenyl-methyl]malonic acid dimethyl ester Formula: C18H22O5 MolecularWeight: 318.36428

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C1CCCCC1=O)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C([C@H]([C@@H]1CCCCC1=O)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C18H22O5/c1-22-17(20)16(18(21)23-2)15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)19/h3-5,8-9,13,15-16H,6-7,10-11H2,1-2H3/t13-,15+/m1/s1