sodium 2-[5-methyl-3-(2-methylbutan-2-yl)-2-oxidanyl-phenyl]benzotriazole-5-sulfonate

Systemtic Name: sodium 2-[5-methyl-3-(2-methylbutan-2-yl)-2-oxidanyl-phenyl]benzotriazole-5-sulfonate Openeye Name: sodium 2-[3-(1,1-dimethylpropyl)-2-hydroxy-5-methyl-phenyl]benzotriazole-5-sulfonate CAS Name: sodium 2-[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]-5-benzotriazolesulfonate IUPAC Name: sodium 2-[2-hydroxy-5-methyl-3-(2-methylbutan-2-yl)phenyl]benzotriazole-5-sulfonate Traditional Name: sodium 2-(3-tert-amyl-2-hydroxy-5-methyl-phenyl)benzotriazole-5-sulfonate Formula: C18H20N3NaO4S MolecularWeight: 397.42387

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O4S.Na/c1-5-18(3,4)13-8-11(2)9-16(17(13)22)21-19-14-7-6-12(26(23,24)25)10-15(14)20-21;/h6-10,22H,5H2,1-4H3,(H,23,24,25);/q;+1/p-1