4-[2,5-bis(3-cyanopropoxy)phenyl]-2,4-bis(oxidanylidene)butanoic acid

Systemtic Name: 4-[2,5-bis(3-cyanopropoxy)phenyl]-2,4-bis(oxidanylidene)butanoic acid Openeye Name: 4-[2,5-bis(3-cyanopropoxy)phenyl]-2,4-dioxo-butanoic acid CAS Name: 4-[2,5-bis(3-cyanopropoxy)phenyl]-2,4-dioxobutanoic acid IUPAC Name: 4-[2,5-bis(3-cyanopropoxy)phenyl]-2,4-dioxobutanoic acid Traditional Name: 4-[2,5-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=C1OCCCC#N)C(=O)CC(=O)C(=O)O)OCCCC#N

Isomeric SMILES

C1=CC(=C(C=C1OCCCC#N)C(=O)CC(=O)C(=O)O)OCCCC#N

InChI

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