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

Systemtic Name: 4-[[tert-butyl-(9-ethylcarbazol-3-yl)-phenoxy-$l^{5}-phosphanylidene]amino]benzoic acid Openeye Name: 4-[[tert-butyl-(9-ethylcarbazol-3-yl)-phenoxy-$l^{5}-phosphanylidene]amino]benzoic acid CAS Name: 4-[[tert-butyl-(9-ethyl-3-carbazolyl)-phenoxyphosphoranylidene]amino]benzoic acid IUPAC Name: 4-[[tert-butyl-(9-ethylcarbazol-3-yl)-phenoxy-$l^{5}-phosphanylidene]amino]benzoic acid Traditional Name: 4-[[tert-butyl-(9-ethylcarbazol-3-yl)-phenoxy-phosphoranylidene]amino]benzoic acid Formula: C31H31N2O3P MolecularWeight: 510.563201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[P@](=NC3=CC=C(C=C3)C(=O)O)(C(C)(C)C)OC4=CC=CC=C4)C5=CC=CC=C51

InChI

InChI=1S/C31H31N2O3P/c1-5-33-28-14-10-9-13-26(28)27-21-25(19-20-29(27)33)37(31(2,3)4,36-24-11-7-6-8-12-24)32-23-17-15-22(16-18-23)30(34)35/h6-21H,5H2,1-4H3,(H,34,35)/t37-/m1/s1