methyl 2-methyl-4-oxidanylidene-4-pyren-1-yl-butanoate

Systemtic Name: methyl 2-methyl-4-oxidanylidene-4-pyren-1-yl-butanoate Openeye Name: methyl 2-methyl-4-oxo-4-pyren-1-yl-butanoate CAS Name: 2-methyl-4-oxo-4-(1-pyrenyl)butanoic acid methyl ester IUPAC Name: methyl 2-methyl-4-oxo-4-pyren-1-ylbutanoate Traditional Name: 4-keto-2-methyl-4-pyren-1-yl-butyric acid methyl ester Formula: C22H18O3 MolecularWeight: 330.37652

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)OC

Isomeric SMILES

CC(CC(=O)C1=C2C=CC3=CC=CC4=C3C2=C(C=C4)C=C1)C(=O)OC

InChI

InChI=1S/C22H18O3/c1-13(22(24)25-2)12-19(23)17-10-8-16-7-6-14-4-3-5-15-9-11-18(17)21(16)20(14)15/h3-11,13H,12H2,1-2H3