3-[[(4-bromanylphenoxy)-tert-butyl-(9-ethylcarbazol-3-yl)-$l^{5}-phosphanylidene]amino]benzoic acid

Systemtic Name: 3-[[(4-bromanylphenoxy)-tert-butyl-(9-ethylcarbazol-3-yl)-$l^{5}-phosphanylidene]amino]benzoic acid Openeye Name: 3-[[(4-bromophenoxy)-tert-butyl-(9-ethylcarbazol-3-yl)-$l^{5}-phosphanylidene]amino]benzoic acid CAS Name: 3-[[(4-bromophenoxy)-tert-butyl-(9-ethyl-3-carbazolyl)phosphoranylidene]amino]benzoic acid IUPAC Name: 3-[[(4-bromophenoxy)-tert-butyl-(9-ethylcarbazol-3-yl)-$l^{5}-phosphanylidene]amino]benzoic acid Traditional Name: 3-[[(4-bromophenoxy)-tert-butyl-(9-ethylcarbazol-3-yl)phosphoranylidene]amino]benzoic acid Formula: C31H30BrN2O3P MolecularWeight: 589.459261

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)P(=NC3=CC=CC(=C3)C(=O)O)(C(C)(C)C)OC4=CC=C(C=C4)Br)C5=CC=CC=C51

Isomeric SMILES

CCN1C2=C(C=C(C=C2)P(=NC3=CC=CC(=C3)C(=O)O)(C(C)(C)C)OC4=CC=C(C=C4)Br)C5=CC=CC=C51

InChI

InChI=1S/C31H30BrN2O3P/c1-5-34-28-12-7-6-11-26(28)27-20-25(17-18-29(27)34)38(31(2,3)4,37-24-15-13-22(32)14-16-24)33-23-10-8-9-21(19-23)30(35)36/h6-20H,5H2,1-4H3,(H,35,36)