(3S)-2,2-dimethyl-3-[(1R)-2-oxidanylidenecyclohexyl]-3-phenyl-propanoate

Systemtic Name: (3S)-2,2-dimethyl-3-[(1R)-2-oxidanylidenecyclohexyl]-3-phenyl-propanoate Openeye Name: (3S)-2,2-dimethyl-3-[(1R)-2-oxocyclohexyl]-3-phenyl-propanoate CAS Name: (3S)-2,2-dimethyl-3-[(1R)-2-oxocyclohexyl]-3-phenylpropanoate IUPAC Name: (3S)-2,2-dimethyl-3-[(1R)-2-oxocyclohexyl]-3-phenylpropanoate Traditional Name: (3S)-3-[(1R)-2-ketocyclohexyl]-2,2-dimethyl-3-phenyl-propionate Formula: C17H21O3- MolecularWeight: 273.34684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C1CCCCC1=O)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22O3/c1-17(2,16(19)20)15(12-8-4-3-5-9-12)13-10-6-7-11-14(13)18/h3-5,8-9,13,15H,6-7,10-11H2,1-2H3,(H,19,20)/p-1/t13-,15+/m0/s1