[1-[4-[7-(2-azaniumyl-3-phenyl-propanoyl)oxy-5-oxidanyl-4-oxidanylidene-chromen-3-yl]phenoxy]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium

Systemtic Name: [1-[4-[7-(2-azaniumyl-3-phenyl-propanoyl)oxy-5-oxidanyl-4-oxidanylidene-chromen-3-yl]phenoxy]-1-oxidanylidene-3-phenyl-propan-2-yl]azanium Openeye Name: [2-[4-[7-(2-azaniumyl-3-phenyl-propanoyl)oxy-5-hydroxy-4-oxo-chromen-3-yl]phenoxy]-1-benzyl-2-oxo-ethyl]ammonium CAS Name: [1-[4-[7-(2-ammonio-1-oxo-3-phenylpropoxy)-5-hydroxy-4-oxo-1-benzopyran-3-yl]phenoxy]-1-oxo-3-phenylpropan-2-yl]ammonium IUPAC Name: [1-[4-[7-(2-azaniumyl-3-phenylpropanoyl)oxy-5-hydroxy-4-oxochromen-3-yl]phenoxy]-1-oxo-3-phenylpropan-2-yl]azanium Traditional Name: [2-[4-[7-(2-ammonio-3-phenyl-propanoyl)oxy-5-hydroxy-4-keto-chromen-3-yl]phenoxy]-1-benzyl-2-keto-ethyl]ammonium Formula: C33H30N2O7+2 MolecularWeight: 566.6005

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OC2=CC=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)OC(=O)C(CC5=CC=CC=C5)[NH3+])[NH3+]

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OC2=CC=C(C=C2)C3=COC4=CC(=CC(=C4C3=O)O)OC(=O)C(CC5=CC=CC=C5)[NH3+])[NH3+]

InChI

InChI=1S/C33H28N2O7/c34-26(15-20-7-3-1-4-8-20)32(38)41-23-13-11-22(12-14-23)25-19-40-29-18-24(17-28(36)30(29)31(25)37)42-33(39)27(35)16-21-9-5-2-6-10-21/h1-14,17-19,26-27,36H,15-16,34-35H2/p+2