6-(3,5-dimethylphenyl)-3-[3-methyl-1-[(1-oxidanyl-2,3-dihydro-1H-inden-2-yl)sulfanyl]butyl]-2-oxidanyl-pyran-4-one

Systemtic Name: 6-(3,5-dimethylphenyl)-3-[3-methyl-1-[(1-oxidanyl-2,3-dihydro-1H-inden-2-yl)sulfanyl]butyl]-2-oxidanyl-pyran-4-one Openeye Name: 6-(3,5-dimethylphenyl)-2-hydroxy-3-[1-(1-hydroxyindan-2-yl)sulfanyl-3-methyl-butyl]pyran-4-one CAS Name: 6-(3,5-dimethylphenyl)-2-hydroxy-3-[1-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)thio]-3-methylbutyl]-4-pyranone IUPAC Name: 6-(3,5-dimethylphenyl)-2-hydroxy-3-[1-[(1-hydroxy-2,3-dihydro-1H-inden-2-yl)sulfanyl]-3-methylbutyl]pyran-4-one Traditional Name: 6-(3,5-dimethylphenyl)-2-hydroxy-3-[1-[(1-hydroxyindan-2-yl)thio]-3-methyl-butyl]pyran-4-one Formula: C27H30O4S MolecularWeight: 450.5897

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=CC(=O)C(=C(O2)O)C(CC(C)C)SC3CC4=CC=CC=C4C3O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=CC(=O)C(=C(O2)O)C(CC(C)C)SC3CC4=CC=CC=C4C3O)C

InChI

InChI=1S/C27H30O4S/c1-15(2)9-23(32-24-13-18-7-5-6-8-20(18)26(24)29)25-21(28)14-22(31-27(25)30)19-11-16(3)10-17(4)12-19/h5-8,10-12,14-15,23-24,26,29-30H,9,13H2,1-4H3