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

Systemtic Name: 4-[(1E,3Z)-3-bromanyl-5-(2,6-ditert-butylthiopyran-4-ylidene)penta-1,3-dienyl]-2,6-ditert-butyl-thiopyrylium Openeye Name: 4-[(1E,3Z)-3-bromo-5-(2,6-ditert-butylthiopyran-4-ylidene)penta-1,3-dienyl]-2,6-ditert-butyl-thiopyrylium CAS Name: 4-[(1E,3Z)-3-bromo-5-(2,6-ditert-butyl-4-thiopyranylidene)penta-1,3-dienyl]-2,6-ditert-butylthiopyrylium IUPAC Name: 4-[(1E,3Z)-3-bromo-5-(2,6-ditert-butylthiopyran-4-ylidene)penta-1,3-dienyl]-2,6-ditert-butylthiopyrylium Traditional Name: 4-[(1E,3Z)-3-bromo-5-(2,6-ditert-butylthiopyran-4-ylidene)penta-1,3-dienyl]-2,6-ditert-butyl-thiopyrylium Formula: C31H44BrS2+ MolecularWeight: 560.71506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44BrS2/c1-28(2,3)24-17-21(18-25(33-24)29(4,5)6)13-15-23(32)16-14-22-19-26(30(7,8)9)34-27(20-22)31(10,11)12/h13-20H,1-12H3/q+1