sodium 1-[2-(hydroxymethyl)-4,5-dimethoxy-phenyl]cyclopentane-1-carboxylate

Systemtic Name: sodium 1-[2-(hydroxymethyl)-4,5-dimethoxy-phenyl]cyclopentane-1-carboxylate Openeye Name: sodium 1-[2-(hydroxymethyl)-4,5-dimethoxy-phenyl]cyclopentanecarboxylate CAS Name: sodium 1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]-1-cyclopentanecarboxylate IUPAC Name: sodium 1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentane-1-carboxylate Traditional Name: sodium 1-(4,5-dimethoxy-2-methylol-phenyl)cyclopentanecarboxylate Formula: C15H19NaO5 MolecularWeight: 302.29813

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CO)C2(CCCC2)C(=O)[O-])OC.[Na+]

Isomeric SMILES

COC1=C(C=C(C(=C1)CO)C2(CCCC2)C(=O)[O-])OC.[Na+]

InChI

InChI=1S/C15H20O5.Na/c1-19-12-7-10(9-16)11(8-13(12)20-2)15(14(17)18)5-3-4-6-15;/h7-8,16H,3-6,9H2,1-2H3,(H,17,18);/q;+1/p-1