tert-butyl [2-(4-phenylsulfanylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] carbonate

Systemtic Name: tert-butyl [2-(4-phenylsulfanylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] carbonate Openeye Name: tert-butyl [2-(4-phenylsulfanylbenzotriazol-2-yl)-4-(1,1,3,3-tetramethylbutyl)phenyl] carbonate CAS Name: carbonic acid tert-butyl [2-[4-(phenylthio)-2-benzotriazolyl]-4-(2,4,4-trimethylpentan-2-yl)phenyl] ester IUPAC Name: tert-butyl [2-(4-phenylsulfanylbenzotriazol-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenyl] carbonate Traditional Name: carbonic acid tert-butyl [2-[4-(phenylthio)benzotriazol-2-yl]-4-(1,1,3,3-tetramethylbutyl)phenyl] ester Formula: C31H37N3O3S MolecularWeight: 531.70878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OC(=O)OC(C)(C)C)N2N=C3C=CC=C(C3=N2)SC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OC(=O)OC(C)(C)C)N2N=C3C=CC=C(C3=N2)SC4=CC=CC=C4

InChI

InChI=1S/C31H37N3O3S/c1-29(2,3)20-31(7,8)21-17-18-25(36-28(35)37-30(4,5)6)24(19-21)34-32-23-15-12-16-26(27(23)33-34)38-22-13-10-9-11-14-22/h9-19H,20H2,1-8H3