sodium 4-oxidanylidene-4-pyren-1-yl-butanoate

Systemtic Name: sodium 4-oxidanylidene-4-pyren-1-yl-butanoate Openeye Name: sodium 4-oxo-4-pyren-1-yl-butanoate CAS Name: sodium 4-oxo-4-(1-pyrenyl)butanoate IUPAC Name: sodium 4-oxo-4-pyren-1-ylbutanoate Traditional Name: sodium 4-keto-4-pyren-1-yl-butyrate Formula: C20H13NaO3 MolecularWeight: 324.30519

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)CCC(=O)[O-].[Na+]

Isomeric SMILES

C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)C(=O)CCC(=O)[O-].[Na+]

InChI

InChI=1S/C20H14O3.Na/c21-17(10-11-18(22)23)15-8-6-14-5-4-12-2-1-3-13-7-9-16(15)20(14)19(12)13;/h1-9H,10-11H2,(H,22,23);/q;+1/p-1