5-methylsulfanyl-4-(3-phenoxyphenyl)sulfonyl-thiophene-2-carboxylic acid

Systemtic Name: 5-methylsulfanyl-4-(3-phenoxyphenyl)sulfonyl-thiophene-2-carboxylic acid Openeye Name: 5-methylsulfanyl-4-(3-phenoxyphenyl)sulfonyl-thiophene-2-carboxylic acid CAS Name: 5-(methylthio)-4-(3-phenoxyphenyl)sulfonyl-2-thiophenecarboxylic acid IUPAC Name: 5-methylsulfanyl-4-(3-phenoxyphenyl)sulfonylthiophene-2-carboxylic acid Traditional Name: 5-(methylthio)-4-(3-phenoxyphenyl)sulfonyl-2-thenoic acid Formula: C18H14O5S3 MolecularWeight: 406.49576

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC=CC(=C2)OC3=CC=CC=C3

Isomeric SMILES

CSC1=C(C=C(S1)C(=O)O)S(=O)(=O)C2=CC=CC(=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H14O5S3/c1-24-18-16(11-15(25-18)17(19)20)26(21,22)14-9-5-8-13(10-14)23-12-6-3-2-4-7-12/h2-11H,1H3,(H,19,20)