8-(azepan-1-ium-1-ylmethyl)-4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-2-oxidanylidene-chromen-7-olate

Systemtic Name: 8-(azepan-1-ium-1-ylmethyl)-4-(6-bromanyl-2-oxidanylidene-chromen-3-yl)-2-oxidanylidene-chromen-7-olate Openeye Name: 8-(azepan-1-ium-1-ylmethyl)-4-(6-bromo-2-oxo-chromen-3-yl)-2-oxo-chromen-7-olate CAS Name: 8-(1-azepan-1-iumylmethyl)-4-(6-bromo-2-oxo-1-benzopyran-3-yl)-2-oxo-1-benzopyran-7-olate IUPAC Name: 8-(azepan-1-ium-1-ylmethyl)-4-(6-bromo-2-oxochromen-3-yl)-2-oxochromen-7-olate Traditional Name: 8-(azepan-1-ium-1-ylmethyl)-4-(6-bromo-2-keto-chromen-3-yl)-2-keto-chromen-7-olate Formula: C25H22BrNO5 MolecularWeight: 496.34988

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Br)OC4=O)[O-]

Isomeric SMILES

C1CCC[NH+](CC1)CC2=C(C=CC3=C2OC(=O)C=C3C4=CC5=C(C=CC(=C5)Br)OC4=O)[O-]

InChI

InChI=1S/C25H22BrNO5/c26-16-5-8-22-15(11-16)12-19(25(30)31-22)18-13-23(29)32-24-17(18)6-7-21(28)20(24)14-27-9-3-1-2-4-10-27/h5-8,11-13,28H,1-4,9-10,14H2