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

Systemtic Name: 3-chloranylsulfonyl-4-(phenylcarbonyl)-5-propyl-benzenecarbothioic S-acid Openeye Name: 4-benzoyl-3-chlorosulfonyl-5-propyl-benzenecarbothioic S-acid CAS Name: 4-benzoyl-3-chlorosulfonyl-5-propylbenzenecarbothioic S-acid IUPAC Name: 4-benzoyl-3-chlorosulfonyl-5-propylbenzenecarbothioic S-acid Traditional Name: 4-benzoyl-3-chlorosulfonyl-5-propyl-thiobenzoic acid Formula: C17H15ClO4S2 MolecularWeight: 382.8816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)C(=O)S)S(=O)(=O)Cl)C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC1=C(C(=CC(=C1)C(=O)S)S(=O)(=O)Cl)C(=O)C2=CC=CC=C2

InChI

InChI=1S/C17H15ClO4S2/c1-2-6-12-9-13(17(20)23)10-14(24(18,21)22)15(12)16(19)11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H,20,23)