6-[(7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylazaniumyl]hexanoate

Systemtic Name: 6-[(7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylazaniumyl]hexanoate Openeye Name: 6-[(7-hydroxy-4-oxo-3-phenoxy-chromen-8-yl)methylammonio]hexanoate CAS Name: 6-[(7-hydroxy-4-oxo-3-phenoxy-1-benzopyran-8-yl)methylammonio]hexanoate IUPAC Name: 6-[(7-hydroxy-4-oxo-3-phenoxychromen-8-yl)methylazaniumyl]hexanoate Traditional Name: 6-[(7-hydroxy-4-keto-3-phenoxy-chromen-8-yl)methylammonio]hexanoate Formula: C22H23NO6 MolecularWeight: 397.42112

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH2+]CCCCCC(=O)[O-])O

Isomeric SMILES

C1=CC=C(C=C1)OC2=COC3=C(C2=O)C=CC(=C3C[NH2+]CCCCCC(=O)[O-])O

InChI

InChI=1S/C22H23NO6/c24-18-11-10-16-21(27)19(29-15-7-3-1-4-8-15)14-28-22(16)17(18)13-23-12-6-2-5-9-20(25)26/h1,3-4,7-8,10-11,14,23-24H,2,5-6,9,12-13H2,(H,25,26)