6-[(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylazaniumyl]hexanoate

Systemtic Name: 6-[(2-methyl-7-oxidanyl-4-oxidanylidene-3-phenoxy-chromen-8-yl)methylazaniumyl]hexanoate Openeye Name: 6-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-chromen-8-yl)methylammonio]hexanoate CAS Name: 6-[(7-hydroxy-2-methyl-4-oxo-3-phenoxy-1-benzopyran-8-yl)methylammonio]hexanoate IUPAC Name: 6-[(7-hydroxy-2-methyl-4-oxo-3-phenoxychromen-8-yl)methylazaniumyl]hexanoate Traditional Name: 6-[(7-hydroxy-4-keto-2-methyl-3-phenoxy-chromen-8-yl)methylammonio]hexanoate Formula: C23H25NO6 MolecularWeight: 411.4477

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH2+]CCCCCC(=O)[O-])OC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH2+]CCCCCC(=O)[O-])OC3=CC=CC=C3

InChI

InChI=1S/C23H25NO6/c1-15-22(30-16-8-4-2-5-9-16)21(28)17-11-12-19(25)18(23(17)29-15)14-24-13-7-3-6-10-20(26)27/h2,4-5,8-9,11-12,24-25H,3,6-7,10,13-14H2,1H3,(H,26,27)