3-[[[2,4-bis(bromanyl)phenoxy]-tert-butyl-pyridin-4-yl-$l^{5}-phosphanylidene]amino]benzoic acid

Systemtic Name: 3-[[[2,4-bis(bromanyl)phenoxy]-tert-butyl-pyridin-4-yl-$l^{5}-phosphanylidene]amino]benzoic acid Openeye Name: 3-[[tert-butyl-(2,4-dibromophenoxy)-(4-pyridyl)-$l^{5}-phosphanylidene]amino]benzoic acid CAS Name: 3-[[tert-butyl-(2,4-dibromophenoxy)-pyridin-4-ylphosphoranylidene]amino]benzoic acid IUPAC Name: 3-[[tert-butyl-(2,4-dibromophenoxy)-pyridin-4-yl-$l^{5}-phosphanylidene]amino]benzoic acid Traditional Name: 3-[[tert-butyl-(2,4-dibromophenoxy)-(4-pyridyl)phosphoranylidene]amino]benzoic acid Formula: C22H21Br2N2O3P MolecularWeight: 552.195501

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)P(=NC1=CC=CC(=C1)C(=O)O)(C2=CC=NC=C2)OC3=C(C=C(C=C3)Br)Br

Isomeric SMILES

CC(C)(C)P(=NC1=CC=CC(=C1)C(=O)O)(C2=CC=NC=C2)OC3=C(C=C(C=C3)Br)Br

InChI

InChI=1S/C22H21Br2N2O3P/c1-22(2,3)30(18-9-11-25-12-10-18,29-20-8-7-16(23)14-19(20)24)26-17-6-4-5-15(13-17)21(27)28/h4-14H,1-3H3,(H,27,28)