2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)pyrrole perchlorate

Systemtic Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)pyrrole perchlorate Openeye Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)pyrrole perchlorate CAS Name: 2-(2,6-ditert-butyl-4-pyranylidene)-4-(2,6-ditert-butyl-4-pyryliumyl)pyrrole perchlorate IUPAC Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)pyrrole perchlorate Traditional Name: 2-(2,6-ditert-butylpyran-4-ylidene)-4-(2,6-ditert-butylpyrylium-4-yl)pyrrole perchlorate Formula: C30H42ClNO6 MolecularWeight: 548.11058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C=C(C=N2)C3=CC(=[O+]C(=C3)C(C)(C)C)C(C)(C)C)C=C(O1)C(C)(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1=CC(=C2C=C(C=N2)C3=CC(=[O+]C(=C3)C(C)(C)C)C(C)(C)C)C=C(O1)C(C)(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C30H42NO2.ClHO4/c1-27(2,3)23-14-19(15-24(32-23)28(4,5)6)21-13-22(31-18-21)20-16-25(29(7,8)9)33-26(17-20)30(10,11)12;2-1(3,4)5/h13-18H,1-12H3;(H,2,3,4,5)/q+1;/p-1