2-(3-bromanyl-5-methyl-1-benzothiophen-2-yl)benzoic acid

Systemtic Name: 2-(3-bromanyl-5-methyl-1-benzothiophen-2-yl)benzoic acid Openeye Name: 2-(3-bromo-5-methyl-benzothiophen-2-yl)benzoic acid CAS Name: 2-(3-bromo-5-methyl-1-benzothiophen-2-yl)benzoic acid IUPAC Name: 2-(3-bromo-5-methyl-1-benzothiophen-2-yl)benzoic acid Traditional Name: 2-(3-bromo-5-methyl-benzothiophen-2-yl)benzoic acid Formula: C16H11BrO2S MolecularWeight: 347.22634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)SC(=C2Br)C3=CC=CC=C3C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)SC(=C2Br)C3=CC=CC=C3C(=O)O

InChI

InChI=1S/C16H11BrO2S/c1-9-6-7-13-12(8-9)14(17)15(20-13)10-4-2-3-5-11(10)16(18)19/h2-8H,1H3,(H,18,19)