ethyl 5-[3-(3-methylphenyl)peroxy-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate

Systemtic Name: ethyl 5-[3-(3-methylphenyl)peroxy-2-oxidanyl-propoxy]-4-oxidanylidene-chromene-2-carboxylate Openeye Name: ethyl 5-[2-hydroxy-3-(m-tolylperoxy)propoxy]-4-oxo-chromene-2-carboxylate CAS Name: 5-[2-hydroxy-3-(3-methylphenyl)dioxypropoxy]-4-oxo-1-benzopyran-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[2-hydroxy-3-(3-methylphenyl)peroxypropoxy]-4-oxochromene-2-carboxylate Traditional Name: 5-[2-hydroxy-3-(m-tolylperoxy)propoxy]-4-keto-chromene-2-carboxylic acid ethyl ester Formula: C22H22O8 MolecularWeight: 414.40528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COOC3=CC=CC(=C3)C)O

Isomeric SMILES

CCOC(=O)C1=CC(=O)C2=C(O1)C=CC=C2OCC(COOC3=CC=CC(=C3)C)O

InChI

InChI=1S/C22H22O8/c1-3-26-22(25)20-11-17(24)21-18(8-5-9-19(21)29-20)27-12-15(23)13-28-30-16-7-4-6-14(2)10-16/h4-11,15,23H,3,12-13H2,1-2H3