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6-[(E)-2-phenylethenyl]benzo[a]pyrene

6-[(E)-2-phenylethenyl]benzo[a]pyrene

Systemtic Name:6-[(E)-2-phenylethenyl]benzo[a]pyrene
Openeye Name:6-[(E)-styryl]benzo[a]pyrene
CAS Name:6-[(E)-2-phenylethenyl]benzo[a]pyrene
IUPAC Name:6-[(E)-2-phenylethenyl]benzo[a]pyrene
Traditional Name:6-[(E)-styryl]benzo[a]pyrene
Formula: C28H18
MolecularWeight: 354.44252
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C=CC2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62


Isomeric SMILES

C1=CC=C(C=C1)/C=C/C2=C3C=CC4=CC=CC5=C4C3=C(C=C5)C6=CC=CC=C62


InChI

InChI=1S/C28H18/c1-2-7-19(8-3-1)13-16-24-22-11-4-5-12-23(22)25-17-14-20-9-6-10-21-15-18-26(24)28(25)27(20)21/h1-18H/b16-13+


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