2-(2,6-ditert-butylthiopyran-4-ylidene)-5-(2,6-ditert-butylthiopyrylium-4-yl)pyrrole perchlorate

Systemtic Name: 2-(2,6-ditert-butylthiopyran-4-ylidene)-5-(2,6-ditert-butylthiopyrylium-4-yl)pyrrole perchlorate Openeye Name: 2-(2,6-ditert-butylthiopyran-4-ylidene)-5-(2,6-ditert-butylthiopyrylium-4-yl)pyrrole perchlorate CAS Name: 2-(2,6-ditert-butyl-4-thiopyranylidene)-5-(2,6-ditert-butyl-4-thiopyryliumyl)pyrrole perchlorate IUPAC Name: 2-(2,6-ditert-butylthiopyran-4-ylidene)-5-(2,6-ditert-butylthiopyrylium-4-yl)pyrrole perchlorate Traditional Name: 2-(2,6-ditert-butylthiopyran-4-ylidene)-5-(2,6-ditert-butylthiopyrylium-4-yl)pyrrole perchlorate Formula: C30H42ClNO4S2 MolecularWeight: 580.24178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C2C=CC(=N2)C3=CC(=[S+]C(=C3)C(C)(C)C)C(C)(C)C)C=C(S1)C(C)(C)C.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1=CC(=C2C=CC(=N2)C3=CC(=[S+]C(=C3)C(C)(C)C)C(C)(C)C)C=C(S1)C(C)(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C30H42NS2.ClHO4/c1-27(2,3)23-15-19(16-24(32-23)28(4,5)6)21-13-14-22(31-21)20-17-25(29(7,8)9)33-26(18-20)30(10,11)12;2-1(3,4)5/h13-18H,1-12H3;(H,2,3,4,5)/q+1;/p-1