3-(2-bromophenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid

Systemtic Name: 3-(2-bromophenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid Openeye Name: 3-(2-bromophenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid CAS Name: 3-(2-bromophenyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid IUPAC Name: 3-(2-bromophenyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid Traditional Name: 3-(2-bromophenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propionic acid Formula: C17H17BrO5S MolecularWeight: 413.28288

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1Br)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(CC1=CC=CC=C1Br)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H17BrO5S/c1-17(16(19)20,11-12-5-3-4-6-15(12)18)24(21,22)14-9-7-13(23-2)8-10-14/h3-10H,11H2,1-2H3,(H,19,20)