sodium 2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-1,2,3-triazol-4-yl]benzoate

Systemtic Name: sodium 2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-1,2,3-triazol-4-yl]benzoate Openeye Name: sodium 2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]benzoate CAS Name: sodium 2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]benzoate IUPAC Name: sodium 2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]benzoate Traditional Name: sodium 2-methoxy-5-[5-(7-methoxy-1,3-benzodioxol-5-yl)-2H-triazol-4-yl]benzoate Formula: C18H14N3NaO6 MolecularWeight: 391.31003

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NNN=C2C3=CC4=C(C(=C3)OC)OCO4)C(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NNN=C2C3=CC4=C(C(=C3)OC)OCO4)C(=O)[O-].[Na+]

InChI

InChI=1S/C18H15N3O6.Na/c1-24-12-4-3-9(5-11(12)18(22)23)15-16(20-21-19-15)10-6-13(25-2)17-14(7-10)26-8-27-17;/h3-7H,8H2,1-2H3,(H,22,23)(H,19,20,21);/q;+1/p-1