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6-tert-butyl-1-[3-(6-tert-butylazulen-1-yl)propyl]azulene iodide

6-tert-butyl-1-[3-(6-tert-butylazulen-1-yl)propyl]azulene iodide

Systemtic Name:6-tert-butyl-1-[3-(6-tert-butylazulen-1-yl)propyl]azulene iodide
Openeye Name:6-tert-butyl-1-[3-(6-tert-butylazulen-1-yl)propyl]azulene iodide
CAS Name:6-tert-butyl-1-[3-(6-tert-butyl-1-azulenyl)propyl]azulene iodide
IUPAC Name:6-tert-butyl-1-[3-(6-tert-butylazulen-1-yl)propyl]azulene iodide
Traditional Name:6-tert-butyl-1-[3-(6-tert-butylazulen-1-yl)propyl]azulene iodide
Formula: C31H35I
MolecularWeight: 534.51407
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C2C(=CC=C2CC[CH+]C3=C4C=CC(=CC=C4C=C3)C(C)(C)C)C=C1.[I-]


Isomeric SMILES

CC(C)(C)C1=CC=C2C(=CC=C2CC[CH+]C3=C4C=CC(=CC=C4C=C3)C(C)(C)C)C=C1.[I-]


InChI

InChI=1S/C31H35.HI/c1-30(2,3)26-16-14-24-12-10-22(28(24)20-18-26)8-7-9-23-11-13-25-15-17-27(31(4,5)6)19-21-29(23)25;/h8,10-21H,7,9H2,1-6H3;1H/q+1;/p-1


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