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

Systemtic Name: (2R)-2-[(4-ethyl-7-oxidanyl-2-oxidanylidene-chromen-8-yl)methylazaniumyl]hexanoate Openeye Name: (2R)-2-[(4-ethyl-7-hydroxy-2-oxo-chromen-8-yl)methylammonio]hexanoate CAS Name: (2R)-2-[(4-ethyl-7-hydroxy-2-oxo-1-benzopyran-8-yl)methylammonio]hexanoate IUPAC Name: (2R)-2-[(4-ethyl-7-hydroxy-2-oxochromen-8-yl)methylazaniumyl]hexanoate Traditional Name: (2R)-2-[(4-ethyl-7-hydroxy-2-keto-chromen-8-yl)methylammonio]hexanoate Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C=C2CC)O

Isomeric SMILES

CCCC[C@H](C(=O)[O-])[NH2+]CC1=C(C=CC2=C1OC(=O)C=C2CC)O

InChI

InChI=1S/C18H23NO5/c1-3-5-6-14(18(22)23)19-10-13-15(20)8-7-12-11(4-2)9-16(21)24-17(12)13/h7-9,14,19-20H,3-6,10H2,1-2H3,(H,22,23)/t14-/m1/s1