6-chloranyl-8-[[(2,4-dimethoxyphenyl)methylazaniumyl]methyl]-3,4-dimethyl-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-8-[[(2,4-dimethoxyphenyl)methylazaniumyl]methyl]-3,4-dimethyl-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-8-[[(2,4-dimethoxyphenyl)methylammonio]methyl]-3,4-dimethyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-8-[[(2,4-dimethoxyphenyl)methylammonio]methyl]-3,4-dimethyl-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-8-[[(2,4-dimethoxyphenyl)methylazaniumyl]methyl]-3,4-dimethyl-2-oxochromen-7-olate Traditional Name: 6-chloro-8-[[(2,4-dimethoxybenzyl)ammonio]methyl]-2-keto-3,4-dimethyl-chromen-7-olate Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CC3=C(C=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=C(C(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CC3=C(C=C(C=C3)OC)OC)C

InChI

InChI=1S/C21H22ClNO5/c1-11-12(2)21(25)28-20-15(11)8-17(22)19(24)16(20)10-23-9-13-5-6-14(26-3)7-18(13)27-4/h5-8,23-24H,9-10H2,1-4H3