sodium 4-(5-cyclohexyl-2-methoxy-phenyl)-4-oxidanylidene-butanoic acid

Systemtic Name: sodium 4-(5-cyclohexyl-2-methoxy-phenyl)-4-oxidanylidene-butanoic acid Openeye Name: sodium 4-(5-cyclohexyl-2-methoxy-phenyl)-4-oxo-butanoic acid CAS Name: sodium 4-(5-cyclohexyl-2-methoxyphenyl)-4-oxobutanoic acid IUPAC Name: sodium 4-(5-cyclohexyl-2-methoxyphenyl)-4-oxobutanoic acid Traditional Name: sodium 4-(5-cyclohexyl-2-methoxy-phenyl)-4-keto-butyric acid Formula: C17H22NaO4+ MolecularWeight: 313.34395

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCCC2)C(=O)CCC(=O)O.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCCC2)C(=O)CCC(=O)O.[Na+]

InChI

InChI=1S/C17H22O4.Na/c1-21-16-9-7-13(12-5-3-2-4-6-12)11-14(16)15(18)8-10-17(19)20;/h7,9,11-12H,2-6,8,10H2,1H3,(H,19,20);/q;+1