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2-pyren-1-ylpentanedioic acid

2-pyren-1-ylpentanedioic acid

Systemtic Name:2-pyren-1-ylpentanedioic acid
Openeye Name:2-pyren-1-ylpentanedioic acid
CAS Name:2-(1-pyrenyl)pentanedioic acid
IUPAC Name:2-pyren-1-ylpentanedioic acid
Traditional Name:2-pyren-1-ylglutaric acid
Formula: C21H16O4
MolecularWeight: 332.34934
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(CCC(=O)O)C(=O)O


Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(CCC(=O)O)C(=O)O


InChI

InChI=1S/C21H16O4/c22-18(23)11-10-17(21(24)25)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)20(14)19(12)13/h1-9,17H,10-11H2,(H,22,23)(H,24,25)


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