2-[bis(3,6-ditert-butylazulen-1-yl)methylidene]thiophen-1-ium hexafluorophosphate

Systemtic Name: 2-[bis(3,6-ditert-butylazulen-1-yl)methylidene]thiophen-1-ium hexafluorophosphate Openeye Name: 2-[bis(3,6-ditert-butylazulen-1-yl)methylene]thiophen-1-ium hexafluorophosphate CAS Name: 2-[bis(3,6-ditert-butyl-1-azulenyl)methylidene]thiophen-1-ium hexafluorophosphate IUPAC Name: 2-[bis(3,6-ditert-butylazulen-1-yl)methylidene]thiophen-1-ium hexafluorophosphate Traditional Name: 2-[bis(3,6-ditert-butylazulen-1-yl)methylene]thiophen-1-ium hexafluorophosphate Formula: C41H49F6PS MolecularWeight: 718.85694

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(=C3C=CC=[S+]3)C4=C5C=CC(=CC=C5C(=C4)C(C)(C)C)C(C)(C)C)C=C1.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C2C(=C(C=C2C(C)(C)C)C(=C3C=CC=[S+]3)C4=C5C=CC(=CC=C5C(=C4)C(C)(C)C)C(C)(C)C)C=C1.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C41H49S.F6P/c1-38(2,3)26-15-19-28-30(21-17-26)34(40(7,8)9)24-32(28)37(36-14-13-23-42-36)33-25-35(41(10,11)12)31-22-18-27(39(4,5)6)16-20-29(31)33;1-7(2,3,4,5)6/h13-25H,1-12H3;/q+1;-1