[2-(benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenyl] dodecane-1-sulfonate

Systemtic Name: [2-(benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenyl] dodecane-1-sulfonate Openeye Name: [2-(benzotriazol-2-yl)-4,6-bis(1-methyl-1-phenyl-ethyl)phenyl] dodecane-1-sulfonate CAS Name: 1-dodecanesulfonic acid IUPAC Name: [2-(benzotriazol-2-yl)-4,6-bis(2-phenylpropan-2-yl)phenyl] dodecane-1-sulfonate Traditional Name: dodecane-1-sulfonic acid [2-(benzotriazol-2-yl)-4,6-dicumyl-phenyl] ester Formula: C42H53N3O3S MolecularWeight: 679.95352

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)(=O)OC1=C(C=C(C=C1N2N=C3C=CC=CC3=N2)C(C)(C)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCCCCS(=O)(=O)OC1=C(C=C(C=C1N2N=C3C=CC=CC3=N2)C(C)(C)C4=CC=CC=C4)C(C)(C)C5=CC=CC=C5

InChI

InChI=1S/C42H53N3O3S/c1-6-7-8-9-10-11-12-13-14-23-30-49(46,47)48-40-36(42(4,5)34-26-19-16-20-27-34)31-35(41(2,3)33-24-17-15-18-25-33)32-39(40)45-43-37-28-21-22-29-38(37)44-45/h15-22,24-29,31-32H,6-14,23,30H2,1-5H3