butyl 7-[2-(3-chloranylhexyl)-5-oxidanylidene-cyclopentyl]heptanoate

Systemtic Name: butyl 7-[2-(3-chloranylhexyl)-5-oxidanylidene-cyclopentyl]heptanoate Openeye Name: butyl 7-[2-(3-chlorohexyl)-5-oxo-cyclopentyl]heptanoate CAS Name: 7-[2-(3-chlorohexyl)-5-oxocyclopentyl]heptanoic acid butyl ester IUPAC Name: butyl 7-[2-(3-chlorohexyl)-5-oxocyclopentyl]heptanoate Traditional Name: 7-[2-(3-chlorohexyl)-5-keto-cyclopentyl]enanthic acid butyl ester Formula: C22H39ClO3 MolecularWeight: 386.99626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCCCCCC1C(CCC1=O)CCC(CCC)Cl

Isomeric SMILES

CCCCOC(=O)CCCCCCC1C(CCC1=O)CCC(CCC)Cl

InChI

InChI=1S/C22H39ClO3/c1-3-5-17-26-22(25)12-9-7-6-8-11-20-18(14-16-21(20)24)13-15-19(23)10-4-2/h18-20H,3-17H2,1-2H3