(2R)-2-[(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methylazaniumyl]hexanoate

Systemtic Name: (2R)-2-[(7-oxidanyl-2-oxidanylidene-4-phenyl-chromen-8-yl)methylazaniumyl]hexanoate Openeye Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenyl-chromen-8-yl)methylammonio]hexanoate CAS Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenyl-1-benzopyran-8-yl)methylammonio]hexanoate IUPAC Name: (2R)-2-[(7-hydroxy-2-oxo-4-phenylchromen-8-yl)methylazaniumyl]hexanoate Traditional Name: (2R)-2-[(7-hydroxy-2-keto-4-phenyl-chromen-8-yl)methylammonio]hexanoate Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O

Isomeric SMILES

CCCC[C@H](C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C=C2C3=CC=CC=C3)O

InChI

InChI=1S/C22H23NO5/c1-2-3-9-18(22(26)27)23-13-17-19(24)11-10-15-16(12-20(25)28-21(15)17)14-7-5-4-6-8-14/h4-8,10-12,18,23-24H,2-3,9,13H2,1H3,(H,26,27)/t18-/m1/s1