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

Systemtic Name: 2-[(4-methyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]-3-oxidanyl-propanoate Openeye Name: 3-hydroxy-2-[(7-hydroxy-4-methyl-2-oxo-chromen-8-yl)methylammonio]propanoate CAS Name: 3-hydroxy-2-[(7-hydroxy-4-methyl-2-oxo-1-benzopyran-8-yl)methylammonio]propanoate IUPAC Name: 3-hydroxy-2-[(7-hydroxy-4-methyl-2-oxochromen-8-yl)methylazaniumyl]propanoate Traditional Name: 3-hydroxy-2-[(7-hydroxy-2-keto-4-methyl-chromen-8-yl)methylammonio]propionate Formula: C14H15NO6 MolecularWeight: 293.272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CO)C(=O)[O-])O

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(CO)C(=O)[O-])O

InChI

InChI=1S/C14H15NO6/c1-7-4-12(18)21-13-8(7)2-3-11(17)9(13)5-15-10(6-16)14(19)20/h2-4,10,15-17H,5-6H2,1H3,(H,19,20)