2,6-ditert-butyl-3-[(1E,3E)-5-(2,6-ditert-butylthiopyran-4-ylidene)penta-1,3-dienyl]thiopyrylium

Systemtic Name: 2,6-ditert-butyl-3-[(1E,3E)-5-(2,6-ditert-butylthiopyran-4-ylidene)penta-1,3-dienyl]thiopyrylium Openeye Name: 2,6-ditert-butyl-3-[(1E,3E)-5-(2,6-ditert-butylthiopyran-4-ylidene)penta-1,3-dienyl]thiopyrylium CAS Name: 2,6-ditert-butyl-3-[(1E,3E)-5-(2,6-ditert-butyl-4-thiopyranylidene)penta-1,3-dienyl]thiopyrylium IUPAC Name: 2,6-ditert-butyl-3-[(1E,3E)-5-(2,6-ditert-butylthiopyran-4-ylidene)penta-1,3-dienyl]thiopyrylium Traditional Name: 2,6-ditert-butyl-3-[(1E,3E)-5-(2,6-ditert-butylthiopyran-4-ylidene)penta-1,3-dienyl]thiopyrylium Formula: C31H45S2+ MolecularWeight: 481.819

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=[S+]C(=C(C=C1)C=CC=CC=C2C=C(SC(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=[S+]C(=C(C=C1)/C=C/C=C/C=C2C=C(SC(=C2)C(C)(C)C)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C31H45S2/c1-28(2,3)24-19-18-23(27(33-24)31(10,11)12)17-15-13-14-16-22-20-25(29(4,5)6)32-26(21-22)30(7,8)9/h13-21H,1-12H3/q+1/b14-13+,17-15+