1-butan-2-ylpyrene

Systemtic Name: 1-butan-2-ylpyrene Openeye Name: 1-sec-butylpyrene CAS Name: 1-butan-2-ylpyrene IUPAC Name: 1-butan-2-ylpyrene Traditional Name: 1-sec-butylpyrene Formula: C20H18 MolecularWeight: 258.35692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

CCC(C)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C20H18/c1-3-13(2)17-11-9-16-8-7-14-5-4-6-15-10-12-18(17)20(16)19(14)15/h4-13H,3H2,1-2H3