2-bromanyl-5-[(5-ethylthiophen-2-yl)methylsulfonyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[(5-ethylthiophen-2-yl)methylsulfonyl]benzoic acid Openeye Name: 2-bromo-5-[(5-ethyl-2-thienyl)methylsulfonyl]benzoic acid CAS Name: 2-bromo-5-[(5-ethyl-2-thiophenyl)methylsulfonyl]benzoic acid IUPAC Name: 2-bromo-5-[(5-ethylthiophen-2-yl)methylsulfonyl]benzoic acid Traditional Name: 2-bromo-5-[(5-ethyl-2-thienyl)methylsulfonyl]benzoic acid Formula: C14H13BrO4S2 MolecularWeight: 389.28462

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)CS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

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