benzene; diphenyl phosphate; 1-methyl-1H-1,2,3-triazol-1-ium

Systemtic Name: benzene; diphenyl phosphate; 1-methyl-1H-1,2,3-triazol-1-ium Openeye Name: benzene; diphenyl phosphate; 1-methyl-1H-triazol-1-ium CAS Name: benzene; diphenyl phosphate; 1-methyl-1H-triazol-1-ium IUPAC Name: benzene; diphenyl phosphate; 1-methyl-1H-triazol-1-ium Traditional Name: benzene; diphenyl phosphate; 1-methyl-1H-triazol-1-ium Formula: C21H22N3O4P MolecularWeight: 411.390841

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C=CN=N1.C1=CC=CC=C1.C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=CC=C2

Isomeric SMILES

C[NH+]1C=CN=N1.C1=CC=CC=C1.C1=CC=C(C=C1)OP(=O)([O-])OC2=CC=CC=C2

InChI

InChI=1S/C12H11O4P.C6H6.C3H5N3/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-2-4-6-5-3-1;1-6-3-2-4-5-6/h1-10H,(H,13,14);1-6H;2-3H,1H3