(2R)-2-[[3-(4-fluoranylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylazaniumyl]propanoate

Systemtic Name: (2R)-2-[[3-(4-fluoranylphenoxy)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methylazaniumyl]propanoate Openeye Name: (2R)-2-[[3-(4-fluorophenoxy)-7-hydroxy-4-oxo-chromen-8-yl]methylammonio]propanoate CAS Name: (2R)-2-[[3-(4-fluorophenoxy)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methylammonio]propanoate IUPAC Name: (2R)-2-[[3-(4-fluorophenoxy)-7-hydroxy-4-oxochromen-8-yl]methylazaniumyl]propanoate Traditional Name: (2R)-2-[[3-(4-fluorophenoxy)-7-hydroxy-4-keto-chromen-8-yl]methylammonio]propionate Formula: C19H16FNO6 MolecularWeight: 373.331843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=C(C=C3)F)O

Isomeric SMILES

C[C@H](C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC=C(C2=O)OC3=CC=C(C=C3)F)O

InChI

InChI=1S/C19H16FNO6/c1-10(19(24)25)21-8-14-15(22)7-6-13-17(23)16(9-26-18(13)14)27-12-4-2-11(20)3-5-12/h2-7,9-10,21-22H,8H2,1H3,(H,24,25)/t10-/m1/s1