[2-(imidazol-1-ylmethoxy)-3-(2,4,6-trimethylphenyl)sulfonyloxy-propyl] benzoate

Systemtic Name: [2-(imidazol-1-ylmethoxy)-3-(2,4,6-trimethylphenyl)sulfonyloxy-propyl] benzoate Openeye Name: [2-(imidazol-1-ylmethoxy)-3-(2,4,6-trimethylphenyl)sulfonyloxy-propyl] benzoate CAS Name: benzoic acid [2-(1-imidazolylmethoxy)-3-(2,4,6-trimethylphenyl)sulfonyloxypropyl] ester IUPAC Name: [2-(imidazol-1-ylmethoxy)-3-(2,4,6-trimethylphenyl)sulfonyloxypropyl] benzoate Traditional Name: benzoic acid [2-(imidazol-1-ylmethoxy)-3-mesitylsulfonyloxy-propyl] ester Formula: C23H26N2O6S MolecularWeight: 458.52734

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC(COC(=O)C2=CC=CC=C2)OCN3C=CN=C3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)OCC(COC(=O)C2=CC=CC=C2)OCN3C=CN=C3)C

InChI

InChI=1S/C23H26N2O6S/c1-17-11-18(2)22(19(3)12-17)32(27,28)31-14-21(30-16-25-10-9-24-15-25)13-29-23(26)20-7-5-4-6-8-20/h4-12,15,21H,13-14,16H2,1-3H3