2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylselenopyran-1-ium-4-yl)prop-2-enylidene]thiopyran hexafluorophosphate

Systemtic Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylselenopyran-1-ium-4-yl)prop-2-enylidene]thiopyran hexafluorophosphate Openeye Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylselenopyrylium-4-yl)prop-2-enylidene]thiopyran hexafluorophosphate CAS Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butyl-4-selenin-1-iumyl)prop-2-enylidene]thiopyran hexafluorophosphate IUPAC Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylselenopyran-1-ium-4-yl)prop-2-enylidene]thiopyran hexafluorophosphate Traditional Name: 2,6-ditert-butyl-4-[(E)-3-(2,6-ditert-butylselenopyrylium-4-yl)prop-2-enylidene]thiopyran hexafluorophosphate Formula: C29H43F6PSSe MolecularWeight: 647.6409

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=CC2=CC(=[Se+]C(=C2)C(C)(C)C)C(C)(C)C)C=C(S1)C(C)(C)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC(=C/C=C/C2=CC(=[Se+]C(=C2)C(C)(C)C)C(C)(C)C)C=C(S1)C(C)(C)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C29H43SSe.F6P/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;1-7(2,3,4,5)6/h13-19H,1-12H3;/q+1;-1/b15-13+;