6-(2-oxidanylidene-3,4,5-triphenyl-imidazol-1-yl)hexylphosphonic acid

Systemtic Name: 6-(2-oxidanylidene-3,4,5-triphenyl-imidazol-1-yl)hexylphosphonic acid Openeye Name: 6-(2-oxo-3,4,5-triphenyl-imidazol-1-yl)hexylphosphonic acid CAS Name: 6-(2-oxo-3,4,5-triphenyl-1-imidazolyl)hexylphosphonic acid IUPAC Name: 6-(2-oxo-3,4,5-triphenylimidazol-1-yl)hexylphosphonic acid Traditional Name: 6-(2-keto-3,4,5-triphenyl-4-imidazolin-1-yl)hexylphosphonic acid Formula: C27H29N2O4P MolecularWeight: 476.503921

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(N(C(=O)N2CCCCCCP(=O)(O)O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)C2=C(N(C(=O)N2CCCCCCP(=O)(O)O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H29N2O4P/c30-27-28(20-12-1-2-13-21-34(31,32)33)25(22-14-6-3-7-15-22)26(23-16-8-4-9-17-23)29(27)24-18-10-5-11-19-24/h3-11,14-19H,1-2,12-13,20-21H2,(H2,31,32,33)