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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=C(S2)Br

Isomeric SMILES

CCC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)CC2=CC=C(S2)Br

InChI

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