4-fluoranyl-2-methyl-3,5-bis(phenylsulfonyl)benzenesulfinic acid

Systemtic Name: 4-fluoranyl-2-methyl-3,5-bis(phenylsulfonyl)benzenesulfinic acid Openeye Name: 3,5-bis(benzenesulfonyl)-4-fluoro-2-methyl-benzenesulfinic acid CAS Name: 3,5-bis(benzenesulfonyl)-4-fluoro-2-methylbenzenesulfinic acid IUPAC Name: 3,5-bis(benzenesulfonyl)-4-fluoro-2-methylbenzenesulfinic acid Traditional Name: 3,5-dibesyl-4-fluoro-2-methyl-benzenesulfinic acid Formula: C19H15FO6S3 MolecularWeight: 454.512203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1S(=O)O)S(=O)(=O)C2=CC=CC=C2)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(C=C1S(=O)O)S(=O)(=O)C2=CC=CC=C2)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H15FO6S3/c1-13-16(27(21)22)12-17(28(23,24)14-8-4-2-5-9-14)18(20)19(13)29(25,26)15-10-6-3-7-11-15/h2-12H,1H3,(H,21,22)