[2-(benzotriazol-2-yl)-4-(2-methylheptan-2-yl)-6-prop-2-enyl-phenyl] benzenesulfonate

Systemtic Name: [2-(benzotriazol-2-yl)-4-(2-methylheptan-2-yl)-6-prop-2-enyl-phenyl] benzenesulfonate Openeye Name: [2-allyl-6-(benzotriazol-2-yl)-4-(1,1-dimethylhexyl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(2-benzotriazolyl)-4-(2-methylheptan-2-yl)-6-prop-2-enylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-4-(2-methylheptan-2-yl)-6-prop-2-enylphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-allyl-6-(benzotriazol-2-yl)-4-(1,1-dimethylhexyl)phenyl] ester Formula: C29H33N3O3S MolecularWeight: 503.65562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)OS(=O)(=O)C4=CC=CC=C4)CC=C

Isomeric SMILES

CCCCCC(C)(C)C1=CC(=C(C(=C1)N2N=C3C=CC=CC3=N2)OS(=O)(=O)C4=CC=CC=C4)CC=C

InChI

InChI=1S/C29H33N3O3S/c1-5-7-13-19-29(3,4)23-20-22(14-6-2)28(35-36(33,34)24-15-9-8-10-16-24)27(21-23)32-30-25-17-11-12-18-26(25)31-32/h6,8-12,15-18,20-21H,2,5,7,13-14,19H2,1,3-4H3