3-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-sulfonyl-propanoic acid

Systemtic Name: 3-(5-chloranyl-3-methyl-1-benzothiophen-2-yl)-2-sulfonyl-propanoic acid Openeye Name: 3-(5-chloro-3-methyl-benzothiophen-2-yl)-2-sulfonyl-propanoic acid CAS Name: 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-sulfonylpropanoic acid IUPAC Name: 3-(5-chloro-3-methyl-1-benzothiophen-2-yl)-2-sulfonylpropanoic acid Traditional Name: 3-(5-chloro-3-methyl-benzothiophen-2-yl)-2-sulfonyl-propionic acid Formula: C12H9ClO4S2 MolecularWeight: 316.78046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C=C(C=C2)Cl)CC(=S(=O)=O)C(=O)O

Isomeric SMILES

CC1=C(SC2=C1C=C(C=C2)Cl)CC(=S(=O)=O)C(=O)O

InChI

InChI=1S/C12H9ClO4S2/c1-6-8-4-7(13)2-3-9(8)18-10(6)5-11(12(14)15)19(16)17/h2-4H,5H2,1H3,(H,14,15)