(4-methylphenyl)-[6-(4-methylsulfanylphenyl)-1,3-benzodioxol-5-yl]methanol

Systemtic Name: (4-methylphenyl)-[6-(4-methylsulfanylphenyl)-1,3-benzodioxol-5-yl]methanol Openeye Name: [6-(4-methylsulfanylphenyl)-1,3-benzodioxol-5-yl]-(p-tolyl)methanol CAS Name: (4-methylphenyl)-[6-[4-(methylthio)phenyl]-1,3-benzodioxol-5-yl]methanol IUPAC Name: (4-methylphenyl)-[6-(4-methylsulfanylphenyl)-1,3-benzodioxol-5-yl]methanol Traditional Name: [6-[4-(methylthio)phenyl]-1,3-benzodioxol-5-yl]-(p-tolyl)methanol Formula: C22H20O3S MolecularWeight: 364.4574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC3=C(C=C2C4=CC=C(C=C4)SC)OCO3)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC3=C(C=C2C4=CC=C(C=C4)SC)OCO3)O

InChI

InChI=1S/C22H20O3S/c1-14-3-5-16(6-4-14)22(23)19-12-21-20(24-13-25-21)11-18(19)15-7-9-17(26-2)10-8-15/h3-12,22-23H,13H2,1-2H3