3-[(4-bromanyl-2-chloranyl-phenyl)methyl]-2-methyl-1-benzothiophene-5-carboxylic acid

Systemtic Name: 3-[(4-bromanyl-2-chloranyl-phenyl)methyl]-2-methyl-1-benzothiophene-5-carboxylic acid Openeye Name: 3-[(4-bromo-2-chloro-phenyl)methyl]-2-methyl-benzothiophene-5-carboxylic acid CAS Name: 3-[(4-bromo-2-chlorophenyl)methyl]-2-methyl-1-benzothiophene-5-carboxylic acid IUPAC Name: 3-[(4-bromo-2-chlorophenyl)methyl]-2-methyl-1-benzothiophene-5-carboxylic acid Traditional Name: 3-(4-bromo-2-chloro-benzyl)-2-methyl-benzothiophene-5-carboxylic acid Formula: C17H12BrClO2S MolecularWeight: 395.69798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)C=CC(=C2)C(=O)O)CC3=C(C=C(C=C3)Br)Cl

Isomeric SMILES

CC1=C(C2=C(S1)C=CC(=C2)C(=O)O)CC3=C(C=C(C=C3)Br)Cl

InChI

InChI=1S/C17H12BrClO2S/c1-9-13(6-10-2-4-12(18)8-15(10)19)14-7-11(17(20)21)3-5-16(14)22-9/h2-5,7-8H,6H2,1H3,(H,20,21)