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

Systemtic Name: 3-(4-bromophenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid Openeye Name: 3-(4-bromophenyl)-2-(4-methoxyphenyl)sulfonyl-2-methyl-propanoic acid CAS Name: 3-(4-bromophenyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid IUPAC Name: 3-(4-bromophenyl)-2-(4-methoxyphenyl)sulfonyl-2-methylpropanoic acid Traditional Name: 3-(4-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=C(C=C1)Br)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(CC1=CC=C(C=C1)Br)(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC

InChI

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