3-[bis(3-methylazulen-1-yl)methylidene]thiophen-1-ium hexafluorophosphate

Systemtic Name: 3-[bis(3-methylazulen-1-yl)methylidene]thiophen-1-ium hexafluorophosphate Openeye Name: 3-[bis(3-methylazulen-1-yl)methylene]thiophen-1-ium hexafluorophosphate CAS Name: 3-[bis(3-methyl-1-azulenyl)methylidene]thiophen-1-ium hexafluorophosphate IUPAC Name: 3-[bis(3-methylazulen-1-yl)methylidene]thiophen-1-ium hexafluorophosphate Traditional Name: 3-[bis(3-methylazulen-1-yl)methylene]thiophen-1-ium hexafluorophosphate Formula: C27H21F6PS MolecularWeight: 522.48482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC=CC=C2C(=C1)C(=C3C=C[S+]=C3)C4=CC(=C5C4=CC=CC=C5)C.F[P-](F)(F)(F)(F)F

Isomeric SMILES

CC1=C2C=CC=CC=C2C(=C1)C(=C3C=C[S+]=C3)C4=CC(=C5C4=CC=CC=C5)C.F[P-](F)(F)(F)(F)F

InChI

InChI=1S/C27H21S.F6P/c1-18-15-25(23-11-7-3-5-9-21(18)23)27(20-13-14-28-17-20)26-16-19(2)22-10-6-4-8-12-24(22)26;1-7(2,3,4,5)6/h3-17H,1-2H3;/q+1;-1