tert-butyl(triphenyl)boranuide; (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5-phenyl-1,3-benzoxazole

Systemtic Name: tert-butyl(triphenyl)boranuide; (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5-phenyl-1,3-benzoxazole Openeye Name: tert-butyl(triphenyl)boranuide; (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5-phenyl-1,3-benzoxazole CAS Name: tert-butyl(triphenyl)boranuide; (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole IUPAC Name: tert-butyl(triphenyl)boranuide; (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)-2-methylprop-2-enylidene]-5-phenyl-1,3-benzoxazole Traditional Name: tert-butyl(triphenyl)boranuide; (2Z)-3-ethyl-2-[(E)-3-(3-ethyl-5-phenyl-1,3-benzoxazol-3-ium-2-yl)-2-methyl-prop-2-enylidene]-5-phenyl-1,3-benzoxazole Formula: C56H55BN2O2 MolecularWeight: 798.8591

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C.CCN1C2=C(C=CC(=C2)C3=CC=CC=C3)OC1=CC(=CC4=[N+](C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CC)C

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C.CCN\1C2=C(C=CC(=C2)C3=CC=CC=C3)O/C1=C\C(=C\C4=[N+](C5=C(O4)C=CC(=C5)C6=CC=CC=C6)CC)\C

InChI

InChI=1S/C34H31N2O2.C22H24B/c1-4-35-29-22-27(25-12-8-6-9-13-25)16-18-31(29)37-33(35)20-24(3)21-34-36(5-2)30-23-28(17-19-32(30)38-34)26-14-10-7-11-15-26;1-22(2,3)23(19-13-7-4-8-14-19,20-15-9-5-10-16-20)21-17-11-6-12-18-21/h6-23H,4-5H2,1-3H3;4-18H,1-3H3/q+1;-1