3,3-bis[(4-methylphenyl)sulfanyl]-2-benzofuran-1-one

Systemtic Name: 3,3-bis[(4-methylphenyl)sulfanyl]-2-benzofuran-1-one Openeye Name: 3,3-bis(p-tolylsulfanyl)isobenzofuran-1-one CAS Name: 3,3-bis[(4-methylphenyl)thio]-1-isobenzofuranone IUPAC Name: 3,3-bis[(4-methylphenyl)sulfanyl]-2-benzofuran-1-one Traditional Name: 3,3-bis(p-tolylthio)phthalide Formula: C22H18O2S2 MolecularWeight: 378.50712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2(C3=CC=CC=C3C(=O)O2)SC4=CC=C(C=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2(C3=CC=CC=C3C(=O)O2)SC4=CC=C(C=C4)C

InChI

InChI=1S/C22H18O2S2/c1-15-7-11-17(12-8-15)25-22(26-18-13-9-16(2)10-14-18)20-6-4-3-5-19(20)21(23)24-22/h3-14H,1-2H3