ethyl 2-oxidanyl-5-[6-oxidanyl-4-oxidanylidene-5-(2-propan-2-ylphenyl)sulfanyl-pyran-2-yl]benzoate

Systemtic Name: ethyl 2-oxidanyl-5-[6-oxidanyl-4-oxidanylidene-5-(2-propan-2-ylphenyl)sulfanyl-pyran-2-yl]benzoate Openeye Name: ethyl 2-hydroxy-5-[6-hydroxy-5-(2-isopropylphenyl)sulfanyl-4-oxo-pyran-2-yl]benzoate CAS Name: 2-hydroxy-5-[6-hydroxy-4-oxo-5-[(2-propan-2-ylphenyl)thio]-2-pyranyl]benzoic acid ethyl ester IUPAC Name: ethyl 2-hydroxy-5-[6-hydroxy-4-oxo-5-(2-propan-2-ylphenyl)sulfanylpyran-2-yl]benzoate Traditional Name: 2-hydroxy-5-[6-hydroxy-4-keto-5-(o-cumenylthio)pyran-2-yl]benzoic acid ethyl ester Formula: C23H22O6S MolecularWeight: 426.48218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C)O

Isomeric SMILES

CCOC(=O)C1=C(C=CC(=C1)C2=CC(=O)C(=C(O2)O)SC3=CC=CC=C3C(C)C)O

InChI

InChI=1S/C23H22O6S/c1-4-28-22(26)16-11-14(9-10-17(16)24)19-12-18(25)21(23(27)29-19)30-20-8-6-5-7-15(20)13(2)3/h5-13,24,27H,4H2,1-3H3