sodium 8-carboxybenzo[a]pyrene-7-carboxylate

Systemtic Name: sodium 8-carboxybenzo[a]pyrene-7-carboxylate Openeye Name: sodium 8-carboxybenzo[a]pyrene-7-carboxylate CAS Name: sodium 8-carboxy-7-benzo[a]pyrenecarboxylate IUPAC Name: sodium 8-carboxybenzo[a]pyrene-7-carboxylate Traditional Name: sodium 8-carboxybenzo[a]pyrene-7-carboxylate Formula: C22H11NaO4 MolecularWeight: 362.31011

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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.[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C22H12O4.Na/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;+1/p-1