methyl (9E)-9-(3-ethoxy-2,2-dimethyl-5-phenyl-3H-pyrrol-1-ium-4-ylidene)fluorene-2-carboxylate tetrafluoroborate

Systemtic Name: methyl (9E)-9-(3-ethoxy-2,2-dimethyl-5-phenyl-3H-pyrrol-1-ium-4-ylidene)fluorene-2-carboxylate tetrafluoroborate Openeye Name: methyl (9E)-9-(3-ethoxy-2,2-dimethyl-5-phenyl-3H-pyrrol-1-ium-4-ylidene)fluorene-2-carboxylate tetrafluoroborate CAS Name: (9E)-9-(3-ethoxy-2,2-dimethyl-5-phenyl-3H-pyrrol-1-ium-4-ylidene)-2-fluorenecarboxylic acid methyl ester tetrafluoroborate IUPAC Name: methyl (9E)-9-(3-ethoxy-2,2-dimethyl-5-phenyl-3H-pyrrol-1-ium-4-ylidene)fluorene-2-carboxylate tetrafluoroborate Traditional Name: (9E)-9-(4-ethoxy-5,5-dimethyl-2-phenyl-1-pyrrolin-1-ium-3-ylidene)fluorene-2-carboxylic acid methyl ester tetrafluoroborate Formula: C29H28BF4NO3 MolecularWeight: 525.342133

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCOC1C(=C2C3=CC=CC=C3C4=C2C=C(C=C4)C(=O)OC)C(=[NH+]C1(C)C)C5=CC=CC=C5

Isomeric SMILES

[B-](F)(F)(F)F.CCOC1/C(=C/2\C3=CC=CC=C3C4=C2C=C(C=C4)C(=O)OC)/C(=[NH+]C1(C)C)C5=CC=CC=C5

InChI

InChI=1S/C29H27NO3.BF4/c1-5-33-27-25(26(30-29(27,2)3)18-11-7-6-8-12-18)24-22-14-10-9-13-20(22)21-16-15-19(17-23(21)24)28(31)32-4;2-1(3,4)5/h6-17,27H,5H2,1-4H3;/q;-1/p+1/b25-24+;