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

Systemtic Name: 1-tert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)-4-(triphenylmethyl)pyrrol-1-ium Openeye Name: 1-tert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)-4-trityl-pyrrol-1-ium CAS Name: 1-tert-butyl-2-(2,6-ditert-butyl-4-pyranylidene)-4-(triphenylmethyl)pyrrol-1-ium IUPAC Name: 1-tert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)-4-tritylpyrrol-1-ium Traditional Name: 1-tert-butyl-2-(2,6-ditert-butylpyran-4-ylidene)-4-trityl-pyrrol-1-ium Formula: C40H46NO+ MolecularWeight: 556.79934

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C40H46NO/c1-37(2,3)35-25-29(26-36(42-35)38(4,5)6)34-27-33(28-41(34)39(7,8)9)40(30-19-13-10-14-20-30,31-21-15-11-16-22-31)32-23-17-12-18-24-32/h10-28H,1-9H3/q+1