Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C42H22
MOLECULAR WEIGHT: 526.62408
SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=CC6=CC7=C(C=C8C=C9C=CC1=C3C9=C(C8=C7)C=CC3=CC=C1)C=C6C=C45)C=C2
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MOLECULAR FORMULA: C28H14
MOLECULAR WEIGHT: 350.41076
SMILES: C1=CC=C2C3=C4C5=C(C=CC6=C5C7=C(C=C6)C=CC8=C7C4=C(C2=C1)C=C8)C=C3
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Product OPENEYE NAME: coronene
CAS Name: coronene
IUPAC NAME: coronene
SYSTEMATIC NAME: coronene
MOLECULAR FORMULA: C24H12
MOLECULAR WEIGHT: 300.35208
SMILES: C1=CC2=C3C4=C1C=CC5=C4C6=C(C=C5)C=CC7=C6C3=C(C=C2)C=C7
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H16
MOLECULAR WEIGHT: 352.42664
SMILES: C1=CC=C2C(=C1)C=C3C=CC4=CC5=CC=CC=C5C6=C4C3=C2C7=CC=CC=C76
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H12
MOLECULAR WEIGHT: 276.33068
SMILES: C1=CC2=C3C(=C1)C4=CC=CC5=C4C6=C(C=C5)C=CC(=C36)C=C2
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MOLECULAR FORMULA: C22H12
MOLECULAR WEIGHT: 276.33068
SMILES: C1=CC2=C3C(=C1)C=C4C=CC5=C6C4=C3C(=CC6=CC=C5)C=C2
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H14
MOLECULAR WEIGHT: 302.36796
SMILES: C1=CC=C2C(=C1)C=C3C=CC4=C5C3=C2C6=CC=CC=C6C5=CC=C4
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MOLECULAR FORMULA: C36H20
MOLECULAR WEIGHT: 452.544
SMILES: C1=CC=C2C=C3C4=C5C(=CC3=CC2=C1)C6=CC=CC=C6C7=CC8=CC9=CC=CC=C9C=C8C(=C75)C=C4
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H16
MOLECULAR WEIGHT: 352.42664
SMILES: C1=CC=C2C3=C4C(=CC2=C1)C5=CC=CC=C5C6=CC7=CC=CC=C7C(=C64)C=C3
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H14
MOLECULAR WEIGHT: 302.36796
SMILES: C1=CC=C2C3=C4C(=CC=C3)C5=CC=CC=C5C6=CC=CC(=C64)C2=C1
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C32H18
MOLECULAR WEIGHT: 402.48532
SMILES: C1=CC=C2C=C3C4=C5C(=CC=C4)C6=CC7=CC=CC=C7C=C6C8=CC=CC(=C85)C3=CC2=C1
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Product OPENEYE NAME:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H16
MOLECULAR WEIGHT: 352.42664
SMILES: C1=CC=C2C=C3C4=CC=CC5=C4C6=C(C=CC=C6C3=CC2=C1)C7=CC=CC=C57
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MOLECULAR FORMULA: C32H18
MOLECULAR WEIGHT: 402.48532
SMILES: C1=CC=C2C=C3C=C4C5=CC=CC6=C5C7=C(C=CC=C7C4=CC3=CC2=C1)C8=CC=CC=C68
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H14
MOLECULAR WEIGHT: 302.36796
SMILES: C1=CC=C2C3=C4C(=CC2=C1)C5=CC=CC=C5C6=CC=CC(=C64)C=C3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H16
MOLECULAR WEIGHT: 352.42664
SMILES: C1=CC=C2C=C3C4=C5C(=CC3=CC2=C1)C6=CC=CC=C6C7=CC=CC(=C75)C=C4
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Product OPENEYE NAME: benzo[e]pyrene
CAS Name: benzo[e]pyrene
IUPAC NAME: benzo[e]pyrene
SYSTEMATIC NAME: benzo[e]pyrene
MOLECULAR FORMULA: C20H12
MOLECULAR WEIGHT: 252.30928
SMILES: C1=CC=C2C(=C1)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C24H14
MOLECULAR WEIGHT: 302.36796
SMILES: C1=CC=C2C=C3C4=CC=CC5=C4C6=C(C=CC=C6C3=CC2=C1)C=C5
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C28H16
MOLECULAR WEIGHT: 352.42664
SMILES: C1=CC=C2C=C3C=C4C5=CC=CC6=C5C7=C(C=CC=C7C4=CC3=CC2=C1)C=C6
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CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C22H12
MOLECULAR WEIGHT: 276.33068
SMILES: C1=CC=C2C(=C1)C3=C4C2=CC5=CC=CC6=C5C4=C(C=C6)C=C3
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Product OPENEYE NAME:
CAS Name:
IUPAC NAME:
SYSTEMATIC NAME:
MOLECULAR FORMULA: C15H9N
MOLECULAR WEIGHT: 203.23866
SMILES: C1=CC2=C3C(=C1)C=CC4=C3C(=CN=C4)C=C2
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Product OPENEYE NAME: benzo[lmn]phenanthridine
CAS Name: benzo[lmn]phenanthridine
IUPAC NAME: benzo[lmn]phenanthridine
SYSTEMATIC NAME: benzo[lmn]phenanthridine
MOLECULAR FORMULA: C15H9N
MOLECULAR WEIGHT: 203.23866
SMILES: C1=CC2=C3C(=C1)C=NC4=CC=CC(=C43)C=C2
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CAS Name:
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SYSTEMATIC NAME:
MOLECULAR FORMULA: C20H13N
MOLECULAR WEIGHT: 267.32392
SMILES: C1=CC=C2C(=C1)C=CC3=C2C4=C(N3)C=CC5=CC=CC=C54
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