methyl 3,3-dimethyl-2-oxidanyl-4-(4-phenoxyphenyl)sulfonyl-butanoate

Systemtic Name: methyl 3,3-dimethyl-2-oxidanyl-4-(4-phenoxyphenyl)sulfonyl-butanoate Openeye Name: methyl 2-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-butanoate CAS Name: 2-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanoic acid methyl ester IUPAC Name: methyl 2-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanoate Traditional Name: 2-hydroxy-3,3-dimethyl-4-(4-phenoxyphenyl)sulfonyl-butyric acid methyl ester Formula: C19H22O6S MolecularWeight: 378.43938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(C(=O)OC)O

Isomeric SMILES

CC(C)(CS(=O)(=O)C1=CC=C(C=C1)OC2=CC=CC=C2)C(C(=O)OC)O

InChI

InChI=1S/C19H22O6S/c1-19(2,17(20)18(21)24-3)13-26(22,23)16-11-9-15(10-12-16)25-14-7-5-4-6-8-14/h4-12,17,20H,13H2,1-3H3