3-chloranylsulfonyl-5-methyl-4-(phenylcarbonyl)benzenecarbothioic S-acid

Systemtic Name: 3-chloranylsulfonyl-5-methyl-4-(phenylcarbonyl)benzenecarbothioic S-acid Openeye Name: 4-benzoyl-3-chlorosulfonyl-5-methyl-benzenecarbothioic S-acid CAS Name: 4-benzoyl-3-chlorosulfonyl-5-methylbenzenecarbothioic S-acid IUPAC Name: 4-benzoyl-3-chlorosulfonyl-5-methylbenzenecarbothioic S-acid Traditional Name: 4-benzoyl-3-chlorosulfonyl-5-methyl-thiobenzoic acid Formula: C15H11ClO4S2 MolecularWeight: 354.82844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H11ClO4S2/c1-9-7-11(15(18)21)8-12(22(16,19)20)13(9)14(17)10-5-3-2-4-6-10/h2-8H,1H3,(H,18,21)