[2-(benzotriazol-2-yl)-6-butan-2-yl-4-tert-butyl-phenyl] 3-azanylbenzenesulfonate

Systemtic Name: [2-(benzotriazol-2-yl)-6-butan-2-yl-4-tert-butyl-phenyl] 3-azanylbenzenesulfonate Openeye Name: [2-(benzotriazol-2-yl)-4-tert-butyl-6-sec-butyl-phenyl] 3-aminobenzenesulfonate CAS Name: 3-aminobenzenesulfonic acid [2-(2-benzotriazolyl)-6-butan-2-yl-4-tert-butylphenyl] ester IUPAC Name: [2-(benzotriazol-2-yl)-6-butan-2-yl-4-tert-butylphenyl] 3-aminobenzenesulfonate Traditional Name: 3-aminobenzenesulfonic acid [2-(benzotriazol-2-yl)-4-tert-butyl-6-sec-butyl-phenyl] ester Formula: C26H30N4O3S MolecularWeight: 478.6064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N4O3S/c1-6-17(2)21-14-18(26(3,4)5)15-24(30-28-22-12-7-8-13-23(22)29-30)25(21)33-34(31,32)20-11-9-10-19(27)16-20/h7-17H,6,27H2,1-5H3