6-chloranyl-8-[(diethylazaniumyl)methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate

Systemtic Name: 6-chloranyl-8-[(diethylazaniumyl)methyl]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-olate Openeye Name: 3-benzyl-6-chloro-8-[(diethylammonio)methyl]-4-methyl-2-oxo-chromen-7-olate CAS Name: 6-chloro-8-[(diethylammonio)methyl]-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-olate IUPAC Name: 3-benzyl-6-chloro-8-[(diethylazaniumyl)methyl]-4-methyl-2-oxochromen-7-olate Traditional Name: 3-benzyl-6-chloro-8-[(diethylammonio)methyl]-2-keto-4-methyl-chromen-7-olate Formula: C22H24ClNO3 MolecularWeight: 385.88386

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1=C2C(=CC(=C1[O-])Cl)C(=C(C(=O)O2)CC3=CC=CC=C3)C

Isomeric SMILES

CC[NH+](CC)CC1=C2C(=CC(=C1[O-])Cl)C(=C(C(=O)O2)CC3=CC=CC=C3)C

InChI

InChI=1S/C22H24ClNO3/c1-4-24(5-2)13-18-20(25)19(23)12-16-14(3)17(22(26)27-21(16)18)11-15-9-7-6-8-10-15/h6-10,12,25H,4-5,11,13H2,1-3H3