2-(2,6-ditert-butylpyran-4-ylidene)-4-(triphenylmethyl)pyrrol-1-ium

Systemtic Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-(triphenylmethyl)pyrrol-1-ium Openeye Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-trityl-pyrrol-1-ium CAS Name: 2-(2,6-ditert-butyl-4-pyranylidene)-4-(triphenylmethyl)pyrrol-1-ium IUPAC Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-tritylpyrrol-1-ium Traditional Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-trityl-pyrrol-1-ium Formula: C36H38NO+ MolecularWeight: 500.69302

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C=C(C=[NH+]2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=C(O1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C=C(C=[NH+]2)C(C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)C=C(O1)C(C)(C)C

InChI

InChI=1S/C36H37NO/c1-34(2,3)32-22-26(23-33(38-32)35(4,5)6)31-24-30(25-37-31)36(27-16-10-7-11-17-27,28-18-12-8-13-19-28)29-20-14-9-15-21-29/h7-25H,1-6H3/p+1