2-[[2-(3-methylbutyl)-6-oxidanyl-4-oxidanylidene-2-phenyl-3H-pyran-5-yl]sulfanyl]benzoic acid

Systemtic Name: 2-[[2-(3-methylbutyl)-6-oxidanyl-4-oxidanylidene-2-phenyl-3H-pyran-5-yl]sulfanyl]benzoic acid Openeye Name: 2-[(6-hydroxy-2-isopentyl-4-oxo-2-phenyl-3H-pyran-5-yl)sulfanyl]benzoic acid CAS Name: 2-[[6-hydroxy-2-(3-methylbutyl)-4-oxo-2-phenyl-3H-pyran-5-yl]thio]benzoic acid IUPAC Name: 2-[[6-hydroxy-2-(3-methylbutyl)-4-oxo-2-phenyl-3H-pyran-5-yl]sulfanyl]benzoic acid Traditional Name: 2-[(6-hydroxy-2-isoamyl-4-keto-2-phenyl-3H-pyran-5-yl)thio]benzoic acid Formula: C23H24O5S MolecularWeight: 412.49866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CC(=O)C(=C(O1)O)SC2=CC=CC=C2C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CC(C)CCC1(CC(=O)C(=C(O1)O)SC2=CC=CC=C2C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C23H24O5S/c1-15(2)12-13-23(16-8-4-3-5-9-16)14-18(24)20(22(27)28-23)29-19-11-7-6-10-17(19)21(25)26/h3-11,15,27H,12-14H2,1-2H3,(H,25,26)