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2-[(3-bromophenyl)methyl]-3-(phenylmethyl)sulfonyl-propanoic acid

2-[(3-bromophenyl)methyl]-3-(phenylmethyl)sulfonyl-propanoic acid

Systemtic Name:2-[(3-bromophenyl)methyl]-3-(phenylmethyl)sulfonyl-propanoic acid
Openeye Name:2-(benzylsulfonylmethyl)-3-(3-bromophenyl)propanoic acid
CAS Name:2-[(3-bromophenyl)methyl]-3-(phenylmethyl)sulfonylpropanoic acid
IUPAC Name:2-(benzylsulfonylmethyl)-3-(3-bromophenyl)propanoic acid
Traditional Name:2-(benzylsulfonylmethyl)-3-(3-bromophenyl)propionic acid
Formula: C17H17BrO4S
MolecularWeight: 397.28348
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CS(=O)(=O)CC(CC2=CC(=CC=C2)Br)C(=O)O


Isomeric SMILES

C1=CC=C(C=C1)CS(=O)(=O)CC(CC2=CC(=CC=C2)Br)C(=O)O


InChI

InChI=1S/C17H17BrO4S/c18-16-8-4-7-14(10-16)9-15(17(19)20)12-23(21,22)11-13-5-2-1-3-6-13/h1-8,10,15H,9,11-12H2,(H,19,20)


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