4-(3-methylphenyl)carbonylthiophene-2-sulfonic acid

Systemtic Name: 4-(3-methylphenyl)carbonylthiophene-2-sulfonic acid Openeye Name: 4-(3-methylbenzoyl)thiophene-2-sulfonic acid CAS Name: 4-[(3-methylphenyl)-oxomethyl]-2-thiophenesulfonic acid IUPAC Name: 4-(3-methylbenzoyl)thiophene-2-sulfonic acid Traditional Name: 4-m-toluoylthiophene-2-sulfonic acid Formula: C12H10O4S2 MolecularWeight: 282.3354

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)C2=CSC(=C2)S(=O)(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)C2=CSC(=C2)S(=O)(=O)O

InChI

InChI=1S/C12H10O4S2/c1-8-3-2-4-9(5-8)12(13)10-6-11(17-7-10)18(14,15)16/h2-7H,1H3,(H,14,15,16)