diethyl-[3-oxidanylidene-2-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-phenyl-methyl]butyl]azanium chloride

Systemtic Name: diethyl-[3-oxidanylidene-2-[(2-oxidanyl-4-oxidanylidene-chromen-3-yl)-phenyl-methyl]butyl]azanium chloride Openeye Name: diethyl-[2-[(2-hydroxy-4-oxo-chromen-3-yl)-phenyl-methyl]-3-oxo-butyl]ammonium chloride CAS Name: diethyl-[2-[(2-hydroxy-4-oxo-1-benzopyran-3-yl)-phenylmethyl]-3-oxobutyl]ammonium chloride IUPAC Name: diethyl-[2-[(2-hydroxy-4-oxochromen-3-yl)-phenylmethyl]-3-oxobutyl]azanium chloride Traditional Name: diethyl-[2-[(2-hydroxy-4-keto-chromen-3-yl)-phenyl-methyl]-3-keto-butyl]ammonium chloride Formula: C24H28ClNO4 MolecularWeight: 429.93642

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC(C(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O)C(=O)C.[Cl-]

Isomeric SMILES

CC[NH+](CC)CC(C(C1=CC=CC=C1)C2=C(OC3=CC=CC=C3C2=O)O)C(=O)C.[Cl-]

InChI

InChI=1S/C24H27NO4.ClH/c1-4-25(5-2)15-19(16(3)26)21(17-11-7-6-8-12-17)22-23(27)18-13-9-10-14-20(18)29-24(22)28;/h6-14,19,21,28H,4-5,15H2,1-3H3;1H