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

Systemtic Name: 6-(3-methyl-2-oxidanyl-4-phenylmethoxy-phenyl)-2-oxidanyl-3-phenethylsulfanyl-pyran-4-one Openeye Name: 6-(4-benzyloxy-2-hydroxy-3-methyl-phenyl)-2-hydroxy-3-phenethylsulfanyl-pyran-4-one CAS Name: 2-hydroxy-6-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)-3-(phenethylthio)-4-pyranone IUPAC Name: 2-hydroxy-6-(2-hydroxy-3-methyl-4-phenylmethoxyphenyl)-3-phenethylsulfanylpyran-4-one Traditional Name: 6-(4-benzoxy-2-hydroxy-3-methyl-phenyl)-2-hydroxy-3-(phenethylthio)pyran-4-one Formula: C27H24O5S MolecularWeight: 460.54146

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1O)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1O)C2=CC(=O)C(=C(O2)O)SCCC3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C27H24O5S/c1-18-23(31-17-20-10-6-3-7-11-20)13-12-21(25(18)29)24-16-22(28)26(27(30)32-24)33-15-14-19-8-4-2-5-9-19/h2-13,16,29-30H,14-15,17H2,1H3