5-(2,6-ditert-butylpyran-4-ylidene)-2-phenyl-3-(triphenylmethyl)pyrrol-1-ium

Systemtic Name: 5-(2,6-ditert-butylpyran-4-ylidene)-2-phenyl-3-(triphenylmethyl)pyrrol-1-ium Openeye Name: 5-(2,6-ditert-butylpyran-4-ylidene)-2-phenyl-3-trityl-pyrrol-1-ium CAS Name: 5-(2,6-ditert-butyl-4-pyranylidene)-2-phenyl-3-(triphenylmethyl)pyrrol-1-ium IUPAC Name: 5-(2,6-ditert-butylpyran-4-ylidene)-2-phenyl-3-tritylpyrrol-1-ium Traditional Name: 5-(2,6-ditert-butylpyran-4-ylidene)-2-phenyl-3-trityl-pyrrol-1-ium Formula: C42H42NO+ MolecularWeight: 576.78898

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C=C(C(=[NH+]2)C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=C(O1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C2C=C(C(=[NH+]2)C3=CC=CC=C3)C(C4=CC=CC=C4)(C5=CC=CC=C5)C6=CC=CC=C6)C=C(O1)C(C)(C)C

InChI

InChI=1S/C42H41NO/c1-40(2,3)37-27-31(28-38(44-37)41(4,5)6)36-29-35(39(43-36)30-19-11-7-12-20-30)42(32-21-13-8-14-22-32,33-23-15-9-16-24-33)34-25-17-10-18-26-34/h7-29H,1-6H3/p+1