5-(2-ethoxy-2-oxidanylidene-ethoxy)-2H-benzotriazole-4-sulfonic acid; 2-[(4-sulfo-2H-benzotriazol-5-yl)oxy]ethanoic acid

Systemtic Name: 5-(2-ethoxy-2-oxidanylidene-ethoxy)-2H-benzotriazole-4-sulfonic acid; 2-[(4-sulfo-2H-benzotriazol-5-yl)oxy]ethanoic acid Openeye Name: 5-(2-ethoxy-2-oxo-ethoxy)-2H-benzotriazole-4-sulfonic acid; 2-[(4-sulfo-2H-benzotriazol-5-yl)oxy]acetic acid CAS Name: 5-(2-ethoxy-2-oxoethoxy)-2H-benzotriazole-4-sulfonic acid; 2-[(4-sulfo-2H-benzotriazol-5-yl)oxy]acetic acid IUPAC Name: 5-(2-ethoxy-2-oxoethoxy)-2H-benzotriazole-4-sulfonic acid; 2-[(4-sulfo-2H-benzotriazol-5-yl)oxy]acetic acid Traditional Name: 5-(2-ethoxy-2-keto-ethoxy)-2H-benzotriazole-4-sulfonic acid; 2-[(4-sulfo-2H-benzotriazol-5-yl)oxy]acetic acid Formula: C18H18N6O12S2 MolecularWeight: 574.49852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C2=NNN=C2C=C1)S(=O)(=O)O.C1=CC2=NNN=C2C(=C1OCC(=O)O)S(=O)(=O)O

Isomeric SMILES

CCOC(=O)COC1=C(C2=NNN=C2C=C1)S(=O)(=O)O.C1=CC2=NNN=C2C(=C1OCC(=O)O)S(=O)(=O)O

InChI

InChI=1S/C10H11N3O6S.C8H7N3O6S/c1-2-18-8(14)5-19-7-4-3-6-9(12-13-11-6)10(7)20(15,16)17;12-6(13)3-17-5-2-1-4-7(10-11-9-4)8(5)18(14,15)16/h3-4H,2,5H2,1H3,(H,11,12,13)(H,15,16,17);1-2H,3H2,(H,12,13)(H,9,10,11)(H,14,15,16)