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2-(2-cyclohexyl-2-oxidanylidene-ethyl)-2-(phenylmethyl)propanedioic acid

2-(2-cyclohexyl-2-oxidanylidene-ethyl)-2-(phenylmethyl)propanedioic acid

Systemtic Name:2-(2-cyclohexyl-2-oxidanylidene-ethyl)-2-(phenylmethyl)propanedioic acid
Openeye Name:2-benzyl-2-(2-cyclohexyl-2-oxo-ethyl)propanedioic acid
CAS Name:2-(2-cyclohexyl-2-oxoethyl)-2-(phenylmethyl)propanedioic acid
IUPAC Name:2-benzyl-2-(2-cyclohexyl-2-oxoethyl)propanedioic acid
Traditional Name:2-benzyl-2-(2-cyclohexyl-2-keto-ethyl)malonic acid
Formula: C18H22O5
MolecularWeight: 318.36428
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)CC(CC2=CC=CC=C2)(C(=O)O)C(=O)O


Isomeric SMILES

C1CCC(CC1)C(=O)CC(CC2=CC=CC=C2)(C(=O)O)C(=O)O


InChI

InChI=1S/C18H22O5/c19-15(14-9-5-2-6-10-14)12-18(16(20)21,17(22)23)11-13-7-3-1-4-8-13/h1,3-4,7-8,14H,2,5-6,9-12H2,(H,20,21)(H,22,23)


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