(E)-3-chloranyl-4-oxidanylidene-2-(3-pentadecylphenoxy)but-2-enoic acid

Systemtic Name: (E)-3-chloranyl-4-oxidanylidene-2-(3-pentadecylphenoxy)but-2-enoic acid Openeye Name: (E)-3-chloro-4-oxo-2-(3-pentadecylphenoxy)but-2-enoic acid CAS Name: (E)-3-chloro-4-oxo-2-(3-pentadecylphenoxy)-2-butenoic acid IUPAC Name: (E)-3-chloro-4-oxo-2-(3-pentadecylphenoxy)but-2-enoic acid Traditional Name: (E)-3-chloro-4-keto-2-(3-pentadecylphenoxy)but-2-enoic acid Formula: C25H37ClO4 MolecularWeight: 437.01188

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC(=CC=C1)OC(=C(C=O)Cl)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC(=CC=C1)O/C(=C(\C=O)/Cl)/C(=O)O

InChI

InChI=1S/C25H37ClO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-21-17-15-18-22(19-21)30-24(25(28)29)23(26)20-27/h15,17-20H,2-14,16H2,1H3,(H,28,29)/b24-23+