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

Systemtic Name: methyl (9E)-9-(3-ethoxy-1,2,2-trimethyl-5-phenyl-3H-pyrrol-1-ium-4-ylidene)fluorene-2-carboxylate Openeye Name: methyl (9E)-9-(3-ethoxy-1,2,2-trimethyl-5-phenyl-3H-pyrrol-1-ium-4-ylidene)fluorene-2-carboxylate CAS Name: (9E)-9-(3-ethoxy-1,2,2-trimethyl-5-phenyl-3H-pyrrol-1-ium-4-ylidene)-2-fluorenecarboxylic acid methyl ester IUPAC Name: methyl (9E)-9-(3-ethoxy-1,2,2-trimethyl-5-phenyl-3H-pyrrol-1-ium-4-ylidene)fluorene-2-carboxylate Traditional Name: (9E)-9-(4-ethoxy-1,5,5-trimethyl-2-phenyl-1-pyrrolin-1-ium-3-ylidene)fluorene-2-carboxylic acid methyl ester Formula: C30H30NO3+ MolecularWeight: 452.5641

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(=C2C3=CC=CC=C3C4=C2C=C(C=C4)C(=O)OC)C(=[N+](C1(C)C)C)C5=CC=CC=C5

Isomeric SMILES

CCOC1/C(=C/2\C3=CC=CC=C3C4=C2C=C(C=C4)C(=O)OC)/C(=[N+](C1(C)C)C)C5=CC=CC=C5

InChI

InChI=1S/C30H30NO3/c1-6-34-28-26(27(31(4)30(28,2)3)19-12-8-7-9-13-19)25-23-15-11-10-14-21(23)22-17-16-20(18-24(22)25)29(32)33-5/h7-18,28H,6H2,1-5H3/q+1/b26-25+