3-(2-ethyl-5-oxidanylidene-hexyl)phthalate

Systemtic Name: 3-(2-ethyl-5-oxidanylidene-hexyl)phthalate Openeye Name: 3-(2-ethyl-5-oxo-hexyl)phthalate CAS Name: 3-(2-ethyl-5-oxohexyl)phthalate IUPAC Name: 3-(2-ethyl-5-oxohexyl)phthalate Traditional Name: 3-(2-ethyl-5-keto-hexyl)phthalate Formula: C16H18O5-2 MolecularWeight: 290.31112

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CCC(=O)C)CC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC(CCC(=O)C)CC1=CC=CC(=C1C(=O)[O-])C(=O)[O-]

InChI

InChI=1S/C16H20O5/c1-3-11(8-7-10(2)17)9-12-5-4-6-13(15(18)19)14(12)16(20)21/h4-6,11H,3,7-9H2,1-2H3,(H,18,19)(H,20,21)/p-2