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

Systemtic Name: methyl 2,2-dimethyl-4-(4-phenoxyphenyl)sulfonyl-butanoate Openeye Name: methyl 2,2-dimethyl-4-(4-phenoxyphenyl)sulfonyl-butanoate CAS Name: 2,2-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanoic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-4-(4-phenoxyphenyl)sulfonylbutanoate Traditional Name: 2,2-dimethyl-4-(4-phenoxyphenyl)sulfonyl-butyric acid methyl ester Formula: C19H22O5S MolecularWeight: 362.43998

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22O5S/c1-19(2,18(20)23-3)13-14-25(21,22)17-11-9-16(10-12-17)24-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3