2-[4-(3-bromophenyl)sulfonylphenyl]hexanoic acid

Systemtic Name: 2-[4-(3-bromophenyl)sulfonylphenyl]hexanoic acid Openeye Name: 2-[4-(3-bromophenyl)sulfonylphenyl]hexanoic acid CAS Name: 2-[4-(3-bromophenyl)sulfonylphenyl]hexanoic acid IUPAC Name: 2-[4-(3-bromophenyl)sulfonylphenyl]hexanoic acid Traditional Name: 2-[4-(3-bromophenyl)sulfonylphenyl]hexanoic acid Formula: C18H19BrO4S MolecularWeight: 411.31006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC=C2)Br)C(=O)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)S(=O)(=O)C2=CC(=CC=C2)Br)C(=O)O

InChI

InChI=1S/C18H19BrO4S/c1-2-3-7-17(18(20)21)13-8-10-15(11-9-13)24(22,23)16-6-4-5-14(19)12-16/h4-6,8-12,17H,2-3,7H2,1H3,(H,20,21)