methyl 2-[2-oxidanylidene-7-(3-oxidanyl-4-phosphonooxy-butoxy)chromen-4-yl]ethanoate

Systemtic Name: methyl 2-[2-oxidanylidene-7-(3-oxidanyl-4-phosphonooxy-butoxy)chromen-4-yl]ethanoate Openeye Name: methyl 2-[7-(3-hydroxy-4-phosphonooxy-butoxy)-2-oxo-chromen-4-yl]acetate CAS Name: 2-[7-(3-hydroxy-4-phosphonooxybutoxy)-2-oxo-1-benzopyran-4-yl]acetic acid methyl ester IUPAC Name: methyl 2-[7-(3-hydroxy-4-phosphonooxybutoxy)-2-oxochromen-4-yl]acetate Traditional Name: 2-[7-(3-hydroxy-4-phosphonooxy-butoxy)-2-keto-chromen-4-yl]acetic acid methyl ester Formula: C16H19O10P MolecularWeight: 402.289821

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC(=O)OC2=C1C=CC(=C2)OCCC(COP(=O)(O)O)O

Isomeric SMILES

COC(=O)CC1=CC(=O)OC2=C1C=CC(=C2)OCCC(COP(=O)(O)O)O

InChI

InChI=1S/C16H19O10P/c1-23-15(18)6-10-7-16(19)26-14-8-12(2-3-13(10)14)24-5-4-11(17)9-25-27(20,21)22/h2-3,7-8,11,17H,4-6,9H2,1H3,(H2,20,21,22)