sodium 4-(5-cyclohexyl-2,4-dimethoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: sodium 4-(5-cyclohexyl-2,4-dimethoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: sodium 4-(5-cyclohexyl-2,4-dimethoxy-phenyl)-4-oxo-butanoate CAS Name: sodium 4-(5-cyclohexyl-2,4-dimethoxyphenyl)-4-oxobutanoate IUPAC Name: sodium 4-(5-cyclohexyl-2,4-dimethoxyphenyl)-4-oxobutanoate Traditional Name: sodium 4-(5-cyclohexyl-2,4-dimethoxy-phenyl)-4-keto-butyrate Formula: C18H23NaO5 MolecularWeight: 342.36199

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)CCC(=O)[O-])C2CCCCC2)OC.[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)CCC(=O)[O-])C2CCCCC2)OC.[Na+]

InChI

InChI=1S/C18H24O5.Na/c1-22-16-11-17(23-2)14(15(19)8-9-18(20)21)10-13(16)12-6-4-3-5-7-12;/h10-12H,3-9H2,1-2H3,(H,20,21);/q;+1/p-1