(E)-4-[4-[2,5-bis(chloranyl)phenoxy]-4-phenyl-butoxy]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[4-[2,5-bis(chloranyl)phenoxy]-4-phenyl-butoxy]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(2,5-dichlorophenoxy)-4-phenyl-butoxy]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-(2,5-dichlorophenoxy)-4-phenylbutoxy]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(2,5-dichlorophenoxy)-4-phenylbutoxy]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[4-(2,5-dichlorophenoxy)-4-phenyl-butoxy]-4-keto-but-2-enoic acid Formula: C20H18Cl2O5 MolecularWeight: 409.25992

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCCOC(=O)C=CC(=O)O)OC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)C(CCCOC(=O)/C=C/C(=O)O)OC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C20H18Cl2O5/c21-15-8-9-16(22)18(13-15)27-17(14-5-2-1-3-6-14)7-4-12-26-20(25)11-10-19(23)24/h1-3,5-6,8-11,13,17H,4,7,12H2,(H,23,24)/b11-10+