sodium 5-(benzotriazol-2-yl)-2-methoxy-4-oxidanyl-benzenesulfonate

Systemtic Name: sodium 5-(benzotriazol-2-yl)-2-methoxy-4-oxidanyl-benzenesulfonate Openeye Name: sodium 5-(benzotriazol-2-yl)-4-hydroxy-2-methoxy-benzenesulfonate CAS Name: sodium 5-(2-benzotriazolyl)-4-hydroxy-2-methoxybenzenesulfonate IUPAC Name: sodium 5-(benzotriazol-2-yl)-4-hydroxy-2-methoxybenzenesulfonate Traditional Name: sodium 5-(benzotriazol-2-yl)-4-hydroxy-2-methoxy-besylate Formula: C13H10N3NaO5S MolecularWeight: 343.29037

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)O)N2N=C3C=CC=CC3=N2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

COC1=C(C=C(C(=C1)O)N2N=C3C=CC=CC3=N2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C13H11N3O5S.Na/c1-21-12-7-11(17)10(6-13(12)22(18,19)20)16-14-8-4-2-3-5-9(8)15-16;/h2-7,17H,1H3,(H,18,19,20);/q;+1/p-1