benzene; tris[[2,3-bis(oxidanyl)phenyl]carbonyl]-methyl-azanium

Systemtic Name: benzene; tris[[2,3-bis(oxidanyl)phenyl]carbonyl]-methyl-azanium Openeye Name: benzene; tris(2,3-dihydroxybenzoyl)-methyl-ammonium CAS Name: benzene; tris[(2,3-dihydroxyphenyl)-oxomethyl]-methylammonium IUPAC Name: benzene; tris(2,3-dihydroxybenzoyl)-methylazanium Traditional Name: benzene; tris(2,3-dihydroxybenzoyl)-methyl-ammonium Formula: C28H24NO9+ MolecularWeight: 518.49146

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C(=O)C1=C(C(=CC=C1)O)O)(C(=O)C2=C(C(=CC=C2)O)O)C(=O)C3=C(C(=CC=C3)O)O.C1=CC=CC=C1

Isomeric SMILES

C[N+](C(=O)C1=C(C(=CC=C1)O)O)(C(=O)C2=C(C(=CC=C2)O)O)C(=O)C3=C(C(=CC=C3)O)O.C1=CC=CC=C1

InChI

InChI=1S/C22H17NO9.C6H6/c1-23(20(30)11-5-2-8-14(24)17(11)27,21(31)12-6-3-9-15(25)18(12)28)22(32)13-7-4-10-16(26)19(13)29;1-2-4-6-5-3-1/h2-10H,1H3,(H5-,24,25,26,27,28,29,30,31,32);1-6H/p+1