4-hexylpyrene

Systemtic Name: 4-hexylpyrene Openeye Name: 4-hexylpyrene CAS Name: 4-hexylpyrene IUPAC Name: 4-hexylpyrene Traditional Name: 4-hexylpyrene Formula: C22H22 MolecularWeight: 286.41008

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3

Isomeric SMILES

CCCCCCC1=CC2=CC=CC3=C2C4=C(C=CC=C14)C=C3

InChI

InChI=1S/C22H22/c1-2-3-4-5-8-18-15-19-11-6-9-16-13-14-17-10-7-12-20(18)22(17)21(16)19/h6-7,9-15H,2-5,8H2,1H3