4-[3,5-bis(2,6-ditert-butylthiopyrylium-4-yl)phenyl]-2,6-ditert-butyl-thiopyrylium triperchlorate

Systemtic Name: 4-[3,5-bis(2,6-ditert-butylthiopyrylium-4-yl)phenyl]-2,6-ditert-butyl-thiopyrylium triperchlorate Openeye Name: 4-[3,5-bis(2,6-ditert-butylthiopyrylium-4-yl)phenyl]-2,6-ditert-butyl-thiopyrylium triperchlorate CAS Name: 4-[3,5-bis(2,6-ditert-butyl-4-thiopyryliumyl)phenyl]-2,6-ditert-butylthiopyrylium triperchlorate IUPAC Name: 4-[3,5-bis(2,6-ditert-butylthiopyrylium-4-yl)phenyl]-2,6-ditert-butylthiopyrylium triperchlorate Traditional Name: 4-[3,5-bis(2,6-ditert-butylthiopyrylium-4-yl)phenyl]-2,6-ditert-butyl-thiopyrylium triperchlorate Formula: C45H63Cl3O12S3 MolecularWeight: 998.52852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=[S+]1)C(C)(C)C)C2=CC(=CC(=C2)C3=CC(=[S+]C(=C3)C(C)(C)C)C(C)(C)C)C4=CC(=[S+]C(=C4)C(C)(C)C)C(C)(C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=[S+]1)C(C)(C)C)C2=CC(=CC(=C2)C3=CC(=[S+]C(=C3)C(C)(C)C)C(C)(C)C)C4=CC(=[S+]C(=C4)C(C)(C)C)C(C)(C)C.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C45H63S3.3ClHO4/c1-40(2,3)34-22-31(23-35(46-34)41(4,5)6)28-19-29(32-24-36(42(7,8)9)47-37(25-32)43(10,11)12)21-30(20-28)33-26-38(44(13,14)15)48-39(27-33)45(16,17)18;3*2-1(3,4)5/h19-27H,1-18H3;3*(H,2,3,4,5)/q+3;;;/p-3