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2,9-ditert-butylbenzo[a]pyrene

2,9-ditert-butylbenzo[a]pyrene

Systemtic Name:2,9-ditert-butylbenzo[a]pyrene
Openeye Name:2,9-ditert-butylbenzo[a]pyrene
CAS Name:2,9-ditert-butylbenzo[a]pyrene
IUPAC Name:2,9-ditert-butylbenzo[a]pyrene
Traditional Name:2,9-ditert-butylbenzo[a]pyrene
Formula: C28H28
MolecularWeight: 364.52192
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)C=C3C=CC4=CC(=CC5=C4C3=C2C=C5)C(C)(C)C


Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)C=C3C=CC4=CC(=CC5=C4C3=C2C=C5)C(C)(C)C


InChI

InChI=1S/C28H28/c1-27(2,3)21-11-9-17-13-18-7-8-19-14-22(28(4,5)6)15-20-10-12-23(24(17)16-21)26(18)25(19)20/h7-16H,1-6H3


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