3-[4-[(5-chloranylthiophen-2-yl)methylsulfonyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[(5-chloranylthiophen-2-yl)methylsulfonyl]phenyl]propanoic acid Openeye Name: 3-[4-[(5-chloro-2-thienyl)methylsulfonyl]phenyl]propanoic acid CAS Name: 3-[4-[(5-chloro-2-thiophenyl)methylsulfonyl]phenyl]propanoic acid IUPAC Name: 3-[4-[(5-chlorothiophen-2-yl)methylsulfonyl]phenyl]propanoic acid Traditional Name: 3-[4-[(5-chloro-2-thienyl)methylsulfonyl]phenyl]propionic acid Formula: C14H13ClO4S2 MolecularWeight: 344.83362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC2=CC=C(S2)Cl

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)O)S(=O)(=O)CC2=CC=C(S2)Cl

InChI

InChI=1S/C14H13ClO4S2/c15-13-7-4-11(20-13)9-21(18,19)12-5-1-10(2-6-12)3-8-14(16)17/h1-2,4-7H,3,8-9H2,(H,16,17)