[1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-oxidanyl-4-oxidanylidene-chromen-7-yl]oxy-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [1-benzyl-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-hydroxy-4-oxo-chromen-7-yl]oxy-2-oxo-ethyl]ammonium CAS Name: [1-[[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-hydroxy-4-oxo-1-benzopyran-7-yl]oxy]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [1-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-hydroxy-4-oxochromen-7-yl]oxy-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [1-benzyl-2-[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-hydroxy-4-keto-chromen-7-yl]oxy-2-keto-ethyl]ammonium Formula: C27H24NO7+ MolecularWeight: 474.48196

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)OC(=O)C(CC5=CC=CC=C5)[NH3+])OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)OC(=O)C(CC5=CC=CC=C5)[NH3+])OC1

InChI

InChI=1S/C27H23NO7/c28-20(11-16-5-2-1-3-6-16)27(31)35-18-13-21(29)25-24(14-18)34-15-19(26(25)30)17-7-8-22-23(12-17)33-10-4-9-32-22/h1-3,5-8,12-15,20,29H,4,9-11,28H2/p+1