4-[2,6-bis(3-cyanopropoxy)phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[2,6-bis(3-cyanopropoxy)phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[2,6-bis(3-cyanopropoxy)phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[2,6-bis(3-cyanopropoxy)phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[2,6-bis(3-cyanopropoxy)phenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[2,6-bis(3-cyanopropoxy)phenyl]-2,4-diketo-butyric acid Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)OCCCC#N)C(=O)CC(=O)C(=O)O)OCCCC#N

Isomeric SMILES

C1=CC(=C(C(=C1)OCCCC#N)C(=O)CC(=O)C(=O)O)OCCCC#N

InChI

InChI=1S/C18H18N2O6/c19-8-1-3-10-25-15-6-5-7-16(26-11-4-2-9-20)17(15)13(21)12-14(22)18(23)24/h5-7H,1-4,10-12H2,(H,23,24)