4-(3-bromanylthiophen-1-ium-2-ylidene)-2,6-ditert-butyl-thiopyran tetrafluoroborate

Systemtic Name: 4-(3-bromanylthiophen-1-ium-2-ylidene)-2,6-ditert-butyl-thiopyran tetrafluoroborate Openeye Name: 4-(3-bromothiophen-1-ium-2-ylidene)-2,6-ditert-butyl-thiopyran tetrafluoroborate CAS Name: 4-(3-bromo-2-thiophen-1-iumylidene)-2,6-ditert-butylthiopyran tetrafluoroborate IUPAC Name: 4-(3-bromothiophen-1-ium-2-ylidene)-2,6-ditert-butylthiopyran tetrafluoroborate Traditional Name: 4-(3-bromothiophen-1-ium-2-ylidene)-2,6-ditert-butyl-thiopyran tetrafluoroborate Formula: C17H22BBrF4S2 MolecularWeight: 457.195193

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=C2C(=CC=[S+]2)Br)C=C(S1)C(C)(C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=C2C(=CC=[S+]2)Br)C=C(S1)C(C)(C)C

InChI

InChI=1S/C17H22BrS2.BF4/c1-16(2,3)13-9-11(15-12(18)7-8-19-15)10-14(20-13)17(4,5)6;2-1(3,4)5/h7-10H,1-6H3;/q+1;-1