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

Systemtic Name: 2-[(4-butyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]propanoate Openeye Name: 2-[(4-butyl-7-hydroxy-2-oxo-chromen-8-yl)methylammonio]propanoate CAS Name: 2-[(4-butyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylammonio]propanoate IUPAC Name: 2-[(4-butyl-7-hydroxy-2-oxochromen-8-yl)methylazaniumyl]propanoate Traditional Name: 2-[(4-butyl-7-hydroxy-2-keto-chromen-8-yl)methylammonio]propionate Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(C)C(=O)[O-])O

Isomeric SMILES

CCCCC1=CC(=O)OC2=C1C=CC(=C2C[NH2+]C(C)C(=O)[O-])O

InChI

InChI=1S/C17H21NO5/c1-3-4-5-11-8-15(20)23-16-12(11)6-7-14(19)13(16)9-18-10(2)17(21)22/h6-8,10,18-19H,3-5,9H2,1-2H3,(H,21,22)