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

Systemtic Name: methyl 2-[[2-(3-methylbutyl)-6-oxidanyl-4-oxidanylidene-2-phenyl-3H-pyran-5-yl]sulfanyl]benzoate Openeye Name: methyl 2-[(6-hydroxy-2-isopentyl-4-oxo-2-phenyl-3H-pyran-5-yl)sulfanyl]benzoate CAS Name: 2-[[6-hydroxy-2-(3-methylbutyl)-4-oxo-2-phenyl-3H-pyran-5-yl]thio]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-hydroxy-2-(3-methylbutyl)-4-oxo-2-phenyl-3H-pyran-5-yl]sulfanyl]benzoate Traditional Name: 2-[(6-hydroxy-2-isoamyl-4-keto-2-phenyl-3H-pyran-5-yl)thio]benzoic acid methyl ester Formula: C24H26O5S MolecularWeight: 426.52524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26O5S/c1-16(2)13-14-24(17-9-5-4-6-10-17)15-19(25)21(23(27)29-24)30-20-12-8-7-11-18(20)22(26)28-3/h4-12,16,27H,13-15H2,1-3H3