1-[1,1-bis(oxidanylidene)thian-4-yl]benzotriazole-5-carboxylic acid

Systemtic Name: 1-[1,1-bis(oxidanylidene)thian-4-yl]benzotriazole-5-carboxylic acid Openeye Name: 1-(1,1-dioxothian-4-yl)benzotriazole-5-carboxylic acid CAS Name: 1-(1,1-dioxo-4-thianyl)-5-benzotriazolecarboxylic acid IUPAC Name: 1-(1,1-dioxothian-4-yl)benzotriazole-5-carboxylic acid Traditional Name: 1-(1,1-diketothian-4-yl)benzotriazole-5-carboxylic acid Formula: C12H13N3O4S MolecularWeight: 295.31432

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1N2C3=C(C=C(C=C3)C(=O)O)N=N2

Isomeric SMILES

C1CS(=O)(=O)CCC1N2C3=C(C=C(C=C3)C(=O)O)N=N2

InChI

InChI=1S/C12H13N3O4S/c16-12(17)8-1-2-11-10(7-8)13-14-15(11)9-3-5-20(18,19)6-4-9/h1-2,7,9H,3-6H2,(H,16,17)