3-(1-oxidanylidene-1-phenyl-pentan-2-yl)phthalate

Systemtic Name: 3-(1-oxidanylidene-1-phenyl-pentan-2-yl)phthalate Openeye Name: 3-(1-benzoylbutyl)phthalate CAS Name: 3-(1-oxo-1-phenylpentan-2-yl)phthalate IUPAC Name: 3-(1-oxo-1-phenylpentan-2-yl)phthalate Traditional Name: 3-(1-benzoylbutyl)phthalate Formula: C19H16O5-2 MolecularWeight: 324.32734

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)C2=CC=CC=C2

Isomeric SMILES

CCCC(C1=CC=CC(=C1C(=O)[O-])C(=O)[O-])C(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H18O5/c1-2-7-14(17(20)12-8-4-3-5-9-12)13-10-6-11-15(18(21)22)16(13)19(23)24/h3-6,8-11,14H,2,7H2,1H3,(H,21,22)(H,23,24)/p-2