sodium 3-(2,5-dimethoxy-4-methyl-phenyl)oxirane-2-carboxylate

Systemtic Name: sodium 3-(2,5-dimethoxy-4-methyl-phenyl)oxirane-2-carboxylate Openeye Name: sodium 3-(2,5-dimethoxy-4-methyl-phenyl)oxirane-2-carboxylate CAS Name: sodium 3-(2,5-dimethoxy-4-methylphenyl)-2-oxiranecarboxylate IUPAC Name: sodium 3-(2,5-dimethoxy-4-methylphenyl)oxirane-2-carboxylate Traditional Name: sodium 3-(2,5-dimethoxy-4-methyl-phenyl)oxirane-2-carboxylate Formula: C12H13NaO5 MolecularWeight: 260.21839

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)OC)C2C(O2)C(=O)[O-])OC.[Na+]

Isomeric SMILES

CC1=C(C=C(C(=C1)OC)C2C(O2)C(=O)[O-])OC.[Na+]

InChI

InChI=1S/C12H14O5.Na/c1-6-4-9(16-3)7(5-8(6)15-2)10-11(17-10)12(13)14;/h4-5,10-11H,1-3H3,(H,13,14);/q;+1/p-1