[4-[2,3-bis(oxidanyl)propoxy]-2-oxidanyl-phenyl]-(4-phenylsulfanylphenyl)methanone

Systemtic Name: [4-[2,3-bis(oxidanyl)propoxy]-2-oxidanyl-phenyl]-(4-phenylsulfanylphenyl)methanone Openeye Name: [4-(2,3-dihydroxypropoxy)-2-hydroxy-phenyl]-(4-phenylsulfanylphenyl)methanone CAS Name: [4-(2,3-dihydroxypropoxy)-2-hydroxyphenyl]-[4-(phenylthio)phenyl]methanone IUPAC Name: [4-(2,3-dihydroxypropoxy)-2-hydroxyphenyl]-(4-phenylsulfanylphenyl)methanone Traditional Name: (4-glyceryloxy-2-hydroxy-phenyl)-[4-(phenylthio)phenyl]methanone Formula: C22H20O5S MolecularWeight: 396.4562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C3=C(C=C(C=C3)OCC(CO)O)O

Isomeric SMILES

C1=CC=C(C=C1)SC2=CC=C(C=C2)C(=O)C3=C(C=C(C=C3)OCC(CO)O)O

InChI

InChI=1S/C22H20O5S/c23-13-16(24)14-27-17-8-11-20(21(25)12-17)22(26)15-6-9-19(10-7-15)28-18-4-2-1-3-5-18/h1-12,16,23-25H,13-14H2