methyl (9S,10R)-10-(4-chlorophenyl)-8-oxidanylidene-11-oxaspiro[5.5]undecane-9-carboxylate

Systemtic Name: methyl (9S,10R)-10-(4-chlorophenyl)-8-oxidanylidene-11-oxaspiro[5.5]undecane-9-carboxylate Openeye Name: methyl (9S,10R)-10-(4-chlorophenyl)-8-oxo-11-oxaspiro[5.5]undecane-9-carboxylate CAS Name: (9S,10R)-10-(4-chlorophenyl)-8-oxo-11-oxaspiro[5.5]undecane-9-carboxylic acid methyl ester IUPAC Name: methyl (9S,10R)-10-(4-chlorophenyl)-8-oxo-11-oxaspiro[5.5]undecane-9-carboxylate Traditional Name: (9S,10R)-10-(4-chlorophenyl)-8-keto-11-oxaspiro[5.5]undecane-9-carboxylic acid methyl ester Formula: C18H21ClO4 MolecularWeight: 336.80994

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(OC2(CCCCC2)CC1=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)[C@H]1[C@@H](OC2(CCCCC2)CC1=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H21ClO4/c1-22-17(21)15-14(20)11-18(9-3-2-4-10-18)23-16(15)12-5-7-13(19)8-6-12/h5-8,15-16H,2-4,9-11H2,1H3/t15-,16+/m1/s1