sodium 3-(4-methoxy-3-phenylmethoxy-phenyl)oxirane-2-carboxylate

Systemtic Name: sodium 3-(4-methoxy-3-phenylmethoxy-phenyl)oxirane-2-carboxylate Openeye Name: sodium 3-(3-benzyloxy-4-methoxy-phenyl)oxirane-2-carboxylate CAS Name: sodium 3-(4-methoxy-3-phenylmethoxyphenyl)-2-oxiranecarboxylate IUPAC Name: sodium 3-(4-methoxy-3-phenylmethoxyphenyl)oxirane-2-carboxylate Traditional Name: sodium 3-(3-benzoxy-4-methoxy-phenyl)oxirane-2-carboxylate Formula: C17H15NaO5 MolecularWeight: 322.28777

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C(O2)C(=O)[O-])OCC3=CC=CC=C3.[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)C2C(O2)C(=O)[O-])OCC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C17H16O5.Na/c1-20-13-8-7-12(15-16(22-15)17(18)19)9-14(13)21-10-11-5-3-2-4-6-11;/h2-9,15-16H,10H2,1H3,(H,18,19);/q;+1/p-1