2-[1-(benzotriazol-1-yl)decyl]phenol; 4-methylbenzenesulfonate

Systemtic Name: 2-[1-(benzotriazol-1-yl)decyl]phenol; 4-methylbenzenesulfonate Openeye Name: 2-[1-(benzotriazol-1-yl)decyl]phenol; 4-methylbenzenesulfonate CAS Name: 2-[1-(1-benzotriazolyl)decyl]phenol; 4-methylbenzenesulfonate IUPAC Name: 2-[1-(benzotriazol-1-yl)decyl]phenol; 4-methylbenzenesulfonate Traditional Name: 2-[1-(benzotriazol-1-yl)decyl]phenol tosylate Formula: C29H35N3O4S MolecularWeight: 521.6709

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[CH+]C(C1=CC=CC=C1O)N2C3=CC=CC=C3N=N2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCC[CH+]C(C1=CC=CC=C1O)N2C3=CC=CC=C3N=N2.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C22H27N3O.C7H8O3S/c1-2-3-4-5-6-7-8-15-20(18-13-9-12-17-22(18)26)25-21-16-11-10-14-19(21)23-24-25;1-6-2-4-7(5-3-6)11(8,9)10/h9-17,20H,2-8H2,1H3;2-5H,1H3,(H,8,9,10)