4-[4-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]phenyl]butanoic acid

Systemtic Name: 4-[4-[1,3-diethoxy-1,3-bis(oxidanylidene)propan-2-yl]phenyl]butanoic acid Openeye Name: 4-[4-(2-ethoxy-1-ethoxycarbonyl-2-oxo-ethyl)phenyl]butanoic acid CAS Name: 4-[4-(1,3-diethoxy-1,3-dioxopropan-2-yl)phenyl]butanoic acid IUPAC Name: 4-[4-(1,3-diethoxy-1,3-dioxopropan-2-yl)phenyl]butanoic acid Traditional Name: 4-[4-(1-carbethoxy-2-ethoxy-2-keto-ethyl)phenyl]butyric acid Formula: C17H22O6 MolecularWeight: 322.35298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1=CC=C(C=C1)CCCC(=O)O)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1=CC=C(C=C1)CCCC(=O)O)C(=O)OCC

InChI

InChI=1S/C17H22O6/c1-3-22-16(20)15(17(21)23-4-2)13-10-8-12(9-11-13)6-5-7-14(18)19/h8-11,15H,3-7H2,1-2H3,(H,18,19)