methyl 2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoate; 2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoic acid

Systemtic Name: methyl 2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoate; 2-(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethanoic acid Openeye Name: 2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetic acid; methyl 2-(7-hydroxy-4-methyl-2-oxo-chromen-3-yl)acetate CAS Name: 2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)acetic acid; 2-(7-hydroxy-4-methyl-2-oxo-1-benzopyran-3-yl)acetic acid methyl ester IUPAC Name: 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetic acid; methyl 2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate Traditional Name: 2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetic acid; 2-(7-hydroxy-2-keto-4-methyl-chromen-3-yl)acetic acid methyl ester Formula: C25H22O10 MolecularWeight: 482.43618

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)O.CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)O.CC1=C(C(=O)OC2=C1C=CC(=C2)O)CC(=O)OC

InChI

InChI=1S/C13H12O5.C12H10O5/c1-7-9-4-3-8(14)5-11(9)18-13(16)10(7)6-12(15)17-2;1-6-8-3-2-7(13)4-10(8)17-12(16)9(6)5-11(14)15/h3-5,14H,6H2,1-2H3;2-4,13H,5H2,1H3,(H,14,15)