3-tert-butyl-5-(5-chloranylbenzotriazol-2-yl)-4-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-tert-butyl-5-(5-chloranylbenzotriazol-2-yl)-4-oxidanyl-benzenesulfonic acid Openeye Name: 3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxy-benzenesulfonic acid CAS Name: 3-tert-butyl-5-(5-chloro-2-benzotriazolyl)-4-hydroxybenzenesulfonic acid IUPAC Name: 3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxybenzenesulfonic acid Traditional Name: 3-tert-butyl-5-(5-chlorobenzotriazol-2-yl)-4-hydroxy-besylic acid Formula: C16H16ClN3O4S MolecularWeight: 381.83394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)N2N=C3C=CC(=CC3=N2)Cl)S(=O)(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)N2N=C3C=CC(=CC3=N2)Cl)S(=O)(=O)O

InChI

InChI=1S/C16H16ClN3O4S/c1-16(2,3)11-7-10(25(22,23)24)8-14(15(11)21)20-18-12-5-4-9(17)6-13(12)19-20/h4-8,21H,1-3H3,(H,22,23,24)