(3R)-3-pyren-1-ylbutanoate

Systemtic Name: (3R)-3-pyren-1-ylbutanoate Openeye Name: (3R)-3-pyren-1-ylbutanoate CAS Name: (3R)-3-(1-pyrenyl)butanoate IUPAC Name: (3R)-3-pyren-1-ylbutanoate Traditional Name: (3R)-3-pyren-1-ylbutyrate Formula: C20H15O2- MolecularWeight: 287.3319

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)[O-])C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

Isomeric SMILES

C[C@H](CC(=O)[O-])C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1

InChI

InChI=1S/C20H16O2/c1-12(11-18(21)22)16-9-7-15-6-5-13-3-2-4-14-8-10-17(16)20(15)19(13)14/h2-10,12H,11H2,1H3,(H,21,22)/p-1/t12-/m1/s1