6-(2-hydroxyphenyl)-3-(3-methyl-2-phenylsulfanyl-butyl)-2-oxidanyl-thiopyran-4-one

Systemtic Name: 6-(2-hydroxyphenyl)-3-(3-methyl-2-phenylsulfanyl-butyl)-2-oxidanyl-thiopyran-4-one Openeye Name: 2-hydroxy-6-(2-hydroxyphenyl)-3-(3-methyl-2-phenylsulfanyl-butyl)thiopyran-4-one CAS Name: 2-hydroxy-6-(2-hydroxyphenyl)-3-[3-methyl-2-(phenylthio)butyl]-4-thiopyranone IUPAC Name: 2-hydroxy-6-(2-hydroxyphenyl)-3-(3-methyl-2-phenylsulfanylbutyl)thiopyran-4-one Traditional Name: 2-hydroxy-6-(2-hydroxyphenyl)-3-[3-methyl-2-(phenylthio)butyl]thiopyran-4-one Formula: C22H22O3S2 MolecularWeight: 398.53828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC1=C(SC(=CC1=O)C2=CC=CC=C2O)O)SC3=CC=CC=C3

Isomeric SMILES

CC(C)C(CC1=C(SC(=CC1=O)C2=CC=CC=C2O)O)SC3=CC=CC=C3

InChI

InChI=1S/C22H22O3S2/c1-14(2)20(26-15-8-4-3-5-9-15)12-17-19(24)13-21(27-22(17)25)16-10-6-7-11-18(16)23/h3-11,13-14,20,23,25H,12H2,1-2H3