(7E)-7-(2-acetyloxy-4-chloranyl-2-octyl-5-oxidanylidene-cyclopent-3-en-1-ylidene)heptanoic acid

Systemtic Name: (7E)-7-(2-acetyloxy-4-chloranyl-2-octyl-5-oxidanylidene-cyclopent-3-en-1-ylidene)heptanoic acid Openeye Name: (7E)-7-(2-acetoxy-4-chloro-2-octyl-5-oxo-cyclopent-3-en-1-ylidene)heptanoic acid CAS Name: (7E)-7-(2-acetyloxy-4-chloro-2-octyl-5-oxo-1-cyclopent-3-enylidene)heptanoic acid IUPAC Name: (7E)-7-(2-acetyloxy-4-chloro-2-octyl-5-oxocyclopent-3-en-1-ylidene)heptanoic acid Traditional Name: (7E)-7-(2-acetoxy-4-chloro-5-keto-2-octyl-cyclopent-3-en-1-ylidene)enanthic acid Formula: C22H33ClO5 MolecularWeight: 412.94742

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCCC\1(C=C(C(=O)/C1=C/CCCCCC(=O)O)Cl)OC(=O)C

InChI

InChI=1S/C22H33ClO5/c1-3-4-5-6-9-12-15-22(28-17(2)24)16-19(23)21(27)18(22)13-10-7-8-11-14-20(25)26/h13,16H,3-12,14-15H2,1-2H3,(H,25,26)/b18-13-