sodium 4-pyren-1-ylbutanoate

Systemtic Name: sodium 4-pyren-1-ylbutanoate Openeye Name: sodium 4-pyren-1-ylbutanoate CAS Name: sodium 4-(1-pyrenyl)butanoate IUPAC Name: sodium 4-pyren-1-ylbutanoate Traditional Name: sodium 4-pyren-1-ylbutyrate Formula: C20H15NaO2 MolecularWeight: 310.32167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16O2.Na/c21-18(22)6-2-3-13-7-8-16-10-9-14-4-1-5-15-11-12-17(13)20(16)19(14)15;/h1,4-5,7-12H,2-3,6H2,(H,21,22);/q;+1/p-1