(E,7E)-7-(5-butyl-3-chloranyl-2-oxidanylidene-cyclopent-3-en-1-ylidene)hept-5-enoic acid

Systemtic Name: (E,7E)-7-(5-butyl-3-chloranyl-2-oxidanylidene-cyclopent-3-en-1-ylidene)hept-5-enoic acid Openeye Name: (E,7E)-7-(5-butyl-3-chloro-2-oxo-cyclopent-3-en-1-ylidene)hept-5-enoic acid CAS Name: (E,7E)-7-(5-butyl-3-chloro-2-oxo-1-cyclopent-3-enylidene)-5-heptenoic acid IUPAC Name: (E,7E)-7-(5-butyl-3-chloro-2-oxocyclopent-3-en-1-ylidene)hept-5-enoic acid Traditional Name: (E,7E)-7-(5-butyl-3-chloro-2-keto-cyclopent-3-en-1-ylidene)hept-5-enoic acid Formula: C16H21ClO3 MolecularWeight: 296.78914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=C(C(=O)C1=CC=CCCCC(=O)O)Cl

Isomeric SMILES

CCCCC\1C=C(C(=O)/C1=C/C=C/CCCC(=O)O)Cl

InChI

InChI=1S/C16H21ClO3/c1-2-3-8-12-11-14(17)16(20)13(12)9-6-4-5-7-10-15(18)19/h4,6,9,11-12H,2-3,5,7-8,10H2,1H3,(H,18,19)/b6-4+,13-9+