3-[4-(thiophen-2-ylmethylsulfonyl)phenyl]propanoic acid

Systemtic Name: 3-[4-(thiophen-2-ylmethylsulfonyl)phenyl]propanoic acid Openeye Name: 3-[4-(2-thienylmethylsulfonyl)phenyl]propanoic acid CAS Name: 3-[4-(thiophen-2-ylmethylsulfonyl)phenyl]propanoic acid IUPAC Name: 3-[4-(thiophen-2-ylmethylsulfonyl)phenyl]propanoic acid Traditional Name: 3-[4-(2-thenylsulfonyl)phenyl]propionic acid Formula: C14H14O4S2 MolecularWeight: 310.38856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

C1=CSC(=C1)CS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C14H14O4S2/c15-14(16)8-5-11-3-6-13(7-4-11)20(17,18)10-12-2-1-9-19-12/h1-4,6-7,9H,5,8,10H2,(H,15,16)