3-chloranylsulfonyl-4-phenyl-5-(thiophen-3-ylmethylsulfanyl)benzoic acid

Systemtic Name: 3-chloranylsulfonyl-4-phenyl-5-(thiophen-3-ylmethylsulfanyl)benzoic acid Openeye Name: 3-chlorosulfonyl-4-phenyl-5-(3-thienylmethylsulfanyl)benzoic acid CAS Name: 3-chlorosulfonyl-4-phenyl-5-(3-thiophenylmethylthio)benzoic acid IUPAC Name: 3-chlorosulfonyl-4-phenyl-5-(thiophen-3-ylmethylsulfanyl)benzoic acid Traditional Name: 3-chlorosulfonyl-4-phenyl-5-(3-thenylthio)benzoic acid Formula: C18H13ClO4S3 MolecularWeight: 424.94142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)SCC3=CSC=C3

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2S(=O)(=O)Cl)C(=O)O)SCC3=CSC=C3

InChI

InChI=1S/C18H13ClO4S3/c19-26(22,23)16-9-14(18(20)21)8-15(25-11-12-6-7-24-10-12)17(16)13-4-2-1-3-5-13/h1-10H,11H2,(H,20,21)