6-chloranyl-2-oxidanylidene-8-[(oxolan-2-ylmethylazaniumyl)methyl]-4-phenyl-chromen-7-olate

Systemtic Name: 6-chloranyl-2-oxidanylidene-8-[(oxolan-2-ylmethylazaniumyl)methyl]-4-phenyl-chromen-7-olate Openeye Name: 6-chloro-2-oxo-4-phenyl-8-[(tetrahydrofuran-2-ylmethylammonio)methyl]chromen-7-olate CAS Name: 6-chloro-2-oxo-8-[(2-oxolanylmethylammonio)methyl]-4-phenyl-1-benzopyran-7-olate IUPAC Name: 6-chloro-2-oxo-8-[(oxolan-2-ylmethylazaniumyl)methyl]-4-phenylchromen-7-olate Traditional Name: 6-chloro-2-keto-4-phenyl-8-[(tetrahydrofurfurylammonio)methyl]chromen-7-olate Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C[NH2+]CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C4=CC=CC=C4

Isomeric SMILES

C1CC(OC1)C[NH2+]CC2=C3C(=CC(=C2[O-])Cl)C(=CC(=O)O3)C4=CC=CC=C4

InChI

InChI=1S/C21H20ClNO4/c22-18-9-16-15(13-5-2-1-3-6-13)10-19(24)27-21(16)17(20(18)25)12-23-11-14-7-4-8-26-14/h1-3,5-6,9-10,14,23,25H,4,7-8,11-12H2