2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]thiopyrylium

Systemtic Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]thiopyrylium Openeye Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]thiopyrylium CAS Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butyl-4-thiopyranylidene)prop-1-enyl]thiopyrylium IUPAC Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]thiopyrylium Traditional Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylthiopyran-4-ylidene)prop-1-enyl]thiopyrylium Formula: C29H43S2+ MolecularWeight: 455.78172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=CC2=CC(=[S+]C(=C2)C(C)(C)C)C(C)(C)C)C=C(S1)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=C/C=C/C2=CC(=[S+]C(=C2)C(C)(C)C)C(C)(C)C)C=C(S1)C(C)(C)C

InChI

InChI=1S/C29H43S2/c1-26(2,3)22-16-20(17-23(30-22)27(4,5)6)14-13-15-21-18-24(28(7,8)9)31-25(19-21)29(10,11)12/h13-19H,1-12H3/q+1