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

Systemtic Name: (E)-3-chloranyl-2-(4-octylphenoxy)-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-3-chloro-2-(4-octylphenoxy)-4-oxo-but-2-enoic acid CAS Name: (E)-3-chloro-2-(4-octylphenoxy)-4-oxo-2-butenoic acid IUPAC Name: (E)-3-chloro-2-(4-octylphenoxy)-4-oxobut-2-enoic acid Traditional Name: (E)-3-chloro-4-keto-2-(4-octylphenoxy)but-2-enoic acid Formula: C18H23ClO4 MolecularWeight: 338.82582

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=C(C=C1)OC(=C(C=O)Cl)C(=O)O

Isomeric SMILES

CCCCCCCCC1=CC=C(C=C1)O/C(=C(\C=O)/Cl)/C(=O)O

InChI

InChI=1S/C18H23ClO4/c1-2-3-4-5-6-7-8-14-9-11-15(12-10-14)23-17(18(21)22)16(19)13-20/h9-13H,2-8H2,1H3,(H,21,22)/b17-16+