4-chloranyl-3-[(5-ethylthiophen-2-yl)methylsulfonyl]benzoic acid

Systemtic Name: 4-chloranyl-3-[(5-ethylthiophen-2-yl)methylsulfonyl]benzoic acid Openeye Name: 4-chloro-3-[(5-ethyl-2-thienyl)methylsulfonyl]benzoic acid CAS Name: 4-chloro-3-[(5-ethyl-2-thiophenyl)methylsulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[(5-ethylthiophen-2-yl)methylsulfonyl]benzoic acid Traditional Name: 4-chloro-3-[(5-ethyl-2-thienyl)methylsulfonyl]benzoic acid Formula: C14H13ClO4S2 MolecularWeight: 344.83362

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

Isomeric SMILES

CCC1=CC=C(S1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Cl

InChI

InChI=1S/C14H13ClO4S2/c1-2-10-4-5-11(20-10)8-21(18,19)13-7-9(14(16)17)3-6-12(13)15/h3-7H,2,8H2,1H3,(H,16,17)