(3,3-dimethyl-2-oxidanylidene-butyl) 5-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 5-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 5-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 5-(benzenesulfonylmethyl)-2-furancarboxylic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 5-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 5-(besylmethyl)furan-2-carboxylic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H20O6S MolecularWeight: 364.4128

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=C(O1)CS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C18H20O6S/c1-18(2,3)16(19)11-23-17(20)15-10-9-13(24-15)12-25(21,22)14-7-5-4-6-8-14/h4-10H,11-12H2,1-3H3