sodium 5-(benzotriazol-2-yl)-2-methoxy-4-oxidanyl-benzenesulfonic acid

Systemtic Name: sodium 5-(benzotriazol-2-yl)-2-methoxy-4-oxidanyl-benzenesulfonic acid Openeye Name: sodium 5-(benzotriazol-2-yl)-4-hydroxy-2-methoxy-benzenesulfonic acid CAS Name: sodium 5-(2-benzotriazolyl)-4-hydroxy-2-methoxybenzenesulfonic acid IUPAC Name: sodium 5-(benzotriazol-2-yl)-4-hydroxy-2-methoxybenzenesulfonic acid Traditional Name: sodium 5-(benzotriazol-2-yl)-4-hydroxy-2-methoxy-besylic acid Formula: C13H11N3NaO5S+ MolecularWeight: 344.29831

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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