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dipotassium benzo[a]pyrene-7,8-dicarboxylate

dipotassium benzo[a]pyrene-7,8-dicarboxylate

Systemtic Name:dipotassium benzo[a]pyrene-7,8-dicarboxylate
Openeye Name:dipotassium benzo[a]pyrene-7,8-dicarboxylate
CAS Name:dipotassium benzo[a]pyrene-7,8-dicarboxylate
IUPAC Name:dipotassium benzo[a]pyrene-7,8-dicarboxylate
Traditional Name:dipotassium benzo[a]pyrene-7,8-dicarboxylate
Formula: C22H10K2O4
MolecularWeight: 416.509
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(=C5C(=O)[O-])C(=O)[O-])C=C2.[K+].[K+]


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=CC(=C5C(=O)[O-])C(=O)[O-])C=C2.[K+].[K+]


InChI

InChI=1S/C22H12O4.2K/c23-21(24)16-9-8-14-15-7-6-12-3-1-2-11-4-5-13(19(15)18(11)12)10-17(14)20(16)22(25)26;;/h1-10H,(H,23,24)(H,25,26);;/q;2*+1/p-2


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