6-(3-methyl-4-phenylmethoxy-phenyl)-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one

Systemtic Name: 6-(3-methyl-4-phenylmethoxy-phenyl)-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one Openeye Name: 6-(4-benzyloxy-3-methyl-phenyl)-2-hydroxy-3-phenethylsulfanyl-pyran-4-one CAS Name: 2-hydroxy-6-(3-methyl-4-phenylmethoxyphenyl)-3-(phenethylthio)-4-pyranone IUPAC Name: 2-hydroxy-6-(3-methyl-4-phenylmethoxyphenyl)-3-phenethylsulfanylpyran-4-one Traditional Name: 6-(4-benzoxy-3-methyl-phenyl)-2-hydroxy-3-(phenethylthio)pyran-4-one Formula: C27H24O4S MolecularWeight: 444.54206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24O4S/c1-19-16-22(12-13-24(19)30-18-21-10-6-3-7-11-21)25-17-23(28)26(27(29)31-25)32-15-14-20-8-4-2-5-9-20/h2-13,16-17,29H,14-15,18H2,1H3