3-(2-methoxy-2-oxidanylidene-ethyl)-4,8-dimethyl-2-oxidanylidene-6-[(phenethylazaniumyl)methyl]chromen-7-olate

Systemtic Name: 3-(2-methoxy-2-oxidanylidene-ethyl)-4,8-dimethyl-2-oxidanylidene-6-[(phenethylazaniumyl)methyl]chromen-7-olate Openeye Name: 3-(2-methoxy-2-oxo-ethyl)-4,8-dimethyl-2-oxo-6-[(phenethylammonio)methyl]chromen-7-olate CAS Name: 3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-6-[(phenethylammonio)methyl]-1-benzopyran-7-olate IUPAC Name: 3-(2-methoxy-2-oxoethyl)-4,8-dimethyl-2-oxo-6-[(phenethylazaniumyl)methyl]chromen-7-olate Traditional Name: 2-keto-3-(2-keto-2-methoxy-ethyl)-4,8-dimethyl-6-[(phenethylammonio)methyl]chromen-7-olate Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]CCC3=CC=CC=C3)[O-])C)CC(=O)OC

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)C[NH2+]CCC3=CC=CC=C3)[O-])C)CC(=O)OC

InChI

InChI=1S/C23H25NO5/c1-14-18-11-17(13-24-10-9-16-7-5-4-6-8-16)21(26)15(2)22(18)29-23(27)19(14)12-20(25)28-3/h4-8,11,24,26H,9-10,12-13H2,1-3H3