2,4-bis(oxidanylidene)-4-pyren-1-yl-butanoic acid

Systemtic Name: 2,4-bis(oxidanylidene)-4-pyren-1-yl-butanoic acid Openeye Name: 2,4-dioxo-4-pyren-1-yl-butanoic acid CAS Name: 2,4-dioxo-4-(1-pyrenyl)butanoic acid IUPAC Name: 2,4-dioxo-4-pyren-1-ylbutanoic acid Traditional Name: 2,4-diketo-4-pyren-1-yl-butyric acid Formula: C20H12O4 MolecularWeight: 316.30688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H12O4/c21-16(10-17(22)20(23)24)14-8-6-13-5-4-11-2-1-3-12-7-9-15(14)19(13)18(11)12/h1-9H,10H2,(H,23,24)