3-[(6-chloranyl-2-benzothiophen-1-yl)sulfonyl]propanoic acid

Systemtic Name: 3-[(6-chloranyl-2-benzothiophen-1-yl)sulfonyl]propanoic acid Openeye Name: 3-[(6-chloro-2-benzothiophen-1-yl)sulfonyl]propanoic acid CAS Name: 3-[(6-chloro-2-benzothiophen-1-yl)sulfonyl]propanoic acid IUPAC Name: 3-[(6-chloro-2-benzothiophen-1-yl)sulfonyl]propanoic acid Traditional Name: 3-(6-chloroisobenzothiophen-1-yl)sulfonylpropionic acid Formula: C11H9ClO4S2 MolecularWeight: 304.76976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=CSC(=C2C=C1Cl)S(=O)(=O)CCC(=O)O

Isomeric SMILES

C1=CC2=CSC(=C2C=C1Cl)S(=O)(=O)CCC(=O)O

InChI

InChI=1S/C11H9ClO4S2/c12-8-2-1-7-6-17-11(9(7)5-8)18(15,16)4-3-10(13)14/h1-2,5-6H,3-4H2,(H,13,14)