2,6-ditert-butyl-4-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]thiopyrylium perchlorate

Systemtic Name: 2,6-ditert-butyl-4-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]thiopyrylium perchlorate Openeye Name: 2,6-ditert-butyl-4-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]thiopyrylium perchlorate CAS Name: 2,6-ditert-butyl-4-[(2,6-ditert-butyl-4-thiopyranylidene)methyl]thiopyrylium perchlorate IUPAC Name: 2,6-ditert-butyl-4-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]thiopyrylium perchlorate Traditional Name: 2,6-ditert-butyl-4-[(2,6-ditert-butylthiopyran-4-ylidene)methyl]thiopyrylium perchlorate Formula: C27H41ClO4S2 MolecularWeight: 529.19504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC2=CC(=[S+]C(=C2)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(=CC2=CC(=[S+]C(=C2)C(C)(C)C)C(C)(C)C)C=C(S1)C(C)(C)C.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C27H41S2.ClHO4/c1-24(2,3)20-14-18(15-21(28-20)25(4,5)6)13-19-16-22(26(7,8)9)29-23(17-19)27(10,11)12;2-1(3,4)5/h13-17H,1-12H3;(H,2,3,4,5)/q+1;/p-1