[5-[(3-azaniumyloxycarbonyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-azaniumyloxycarbonyl-4-oxidanyl-phenyl)methyl]-2-oxidanyl-phenyl]carbonyloxyazanium

Systemtic Name: [5-[(3-azaniumyloxycarbonyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-(3-azaniumyloxycarbonyl-4-oxidanyl-phenyl)methyl]-2-oxidanyl-phenyl]carbonyloxyazanium Openeye Name: [5-[(3-azaniumyloxycarbonyl-4-hydroxy-phenyl)-(3-azaniumyloxycarbonyl-4-oxo-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoyl]oxyammonium CAS Name: [[5-[[3-[ammoniooxy(oxo)methyl]-4-hydroxyphenyl]-[3-[ammoniooxy(oxo)methyl]-4-oxo-1-cyclohexa-2,5-dienylidene]methyl]-2-hydroxyphenyl]-oxomethoxy]ammonium IUPAC Name: [5-[(3-azaniumyloxycarbonyl-4-hydroxyphenyl)-(3-azaniumyloxycarbonyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxybenzoyl]oxyazanium Traditional Name: [5-[(3-ammoniooxycarbonyl-4-hydroxy-phenyl)-(3-ammoniooxycarbonyl-4-keto-cyclohexa-2,5-dien-1-ylidene)methyl]-2-hydroxy-benzoyl]oxyammonium Formula: C22H20N3O9+3 MolecularWeight: 470.4089

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O[NH3+])C3=CC(=C(C=C3)O)C(=O)O[NH3+])C(=O)O[NH3+])O

Isomeric SMILES

C1=CC(=C(C=C1C(=C2C=CC(=O)C(=C2)C(=O)O[NH3+])C3=CC(=C(C=C3)O)C(=O)O[NH3+])C(=O)O[NH3+])O

InChI

InChI=1S/C22H18N3O9/c23-32-20(29)13-7-10(1-4-16(13)26)19(11-2-5-17(27)14(8-11)21(30)33-24)12-3-6-18(28)15(9-12)22(31)34-25/h1-9H,23-25H3/q+1/p+2