4-[(E)-2-(4,6-ditert-butylpyrylium-2-yl)ethenyl]phenol tetrafluoroborate

Systemtic Name: 4-[(E)-2-(4,6-ditert-butylpyrylium-2-yl)ethenyl]phenol tetrafluoroborate Openeye Name: 4-[(E)-2-(4,6-ditert-butylpyrylium-2-yl)vinyl]phenol tetrafluoroborate CAS Name: 4-[(E)-2-(4,6-ditert-butyl-2-pyryliumyl)ethenyl]phenol tetrafluoroborate IUPAC Name: 4-[(E)-2-(4,6-ditert-butylpyrylium-2-yl)ethenyl]phenol tetrafluoroborate Traditional Name: 4-[(E)-2-(4,6-ditert-butylpyrylium-2-yl)vinyl]phenol tetrafluoroborate Formula: C21H27BF4O2 MolecularWeight: 398.242493

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=[O+]C(=C1)C(C)(C)C)C=CC2=CC=C(C=C2)O

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=[O+]C(=C1)C(C)(C)C)/C=C/C2=CC=C(C=C2)O

InChI

InChI=1S/C21H26O2.BF4/c1-20(2,3)16-13-18(23-19(14-16)21(4,5)6)12-9-15-7-10-17(22)11-8-15;2-1(3,4)5/h7-14H,1-6H3;/q;-1/p+1/b12-9+;