3-[(5-bromanylthiophen-2-yl)methylsulfonyl]-4,5-dimethyl-benzoic acid

Systemtic Name: 3-[(5-bromanylthiophen-2-yl)methylsulfonyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[(5-bromo-2-thienyl)methylsulfonyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[(5-bromo-2-thiophenyl)methylsulfonyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[(5-bromothiophen-2-yl)methylsulfonyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[(5-bromo-2-thienyl)methylsulfonyl]-4,5-dimethyl-benzoic acid Formula: C14H13BrO4S2 MolecularWeight: 389.28462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC2=CC=C(S2)Br)C

Isomeric SMILES

CC1=C(C(=CC(=C1)C(=O)O)S(=O)(=O)CC2=CC=C(S2)Br)C

InChI

InChI=1S/C14H13BrO4S2/c1-8-5-10(14(16)17)6-12(9(8)2)21(18,19)7-11-3-4-13(15)20-11/h3-6H,7H2,1-2H3,(H,16,17)