(2,3,6-trimethylphenyl) 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: (2,3,6-trimethylphenyl) 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: (2,3,6-trimethylphenyl) 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid (2,3,6-trimethylphenyl) ester IUPAC Name: (2,3,6-trimethylphenyl) 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid (2,3,6-trimethylphenyl) ester Formula: C21H20O5S MolecularWeight: 384.4455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C(=C(C=C1)C)OC(=O)C2=CC=C(O2)CS(=O)(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H20O5S/c1-14-9-10-15(2)20(16(14)3)26-21(22)19-12-11-17(25-19)13-27(23,24)18-7-5-4-6-8-18/h4-12H,13H2,1-3H3