[(E,4S)-1-(benzotriazol-1-yl)-4,6,6-trimethyl-hept-1-enyl] 4-methylbenzenesulfonate

Systemtic Name: [(E,4S)-1-(benzotriazol-1-yl)-4,6,6-trimethyl-hept-1-enyl] 4-methylbenzenesulfonate Openeye Name: [(E,4S)-1-(benzotriazol-1-yl)-4,6,6-trimethyl-hept-1-enyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(E,4S)-1-(1-benzotriazolyl)-4,6,6-trimethylhept-1-enyl] ester IUPAC Name: [(E,4S)-1-(benzotriazol-1-yl)-4,6,6-trimethylhept-1-enyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(E,4S)-1-(benzotriazol-1-yl)-4,6,6-trimethyl-hept-1-enyl] ester Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(=CCC(C)CC(C)(C)C)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O/C(=C/C[C@H](C)CC(C)(C)C)/N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C23H29N3O3S/c1-17-10-13-19(14-11-17)30(27,28)29-22(15-12-18(2)16-23(3,4)5)26-21-9-7-6-8-20(21)24-25-26/h6-11,13-15,18H,12,16H2,1-5H3/b22-15+/t18-/m0/s1