3-[3-(4-chloranyl-3-oxidanylidene-butyl)-2,2,4-trimethyl-5-oxidanylidene-cyclohex-3-en-1-yl]propanoic acid

Systemtic Name: 3-[3-(4-chloranyl-3-oxidanylidene-butyl)-2,2,4-trimethyl-5-oxidanylidene-cyclohex-3-en-1-yl]propanoic acid Openeye Name: 3-[3-(4-chloro-3-oxo-butyl)-2,2,4-trimethyl-5-oxo-cyclohex-3-en-1-yl]propanoic acid CAS Name: 3-[3-(4-chloro-3-oxobutyl)-2,2,4-trimethyl-5-oxo-1-cyclohex-3-enyl]propanoic acid IUPAC Name: 3-[3-(4-chloro-3-oxobutyl)-2,2,4-trimethyl-5-oxocyclohex-3-en-1-yl]propanoic acid Traditional Name: 3-[3-(4-chloro-3-keto-butyl)-5-keto-2,2,4-trimethyl-cyclohex-3-en-1-yl]propionic acid Formula: C16H23ClO4 MolecularWeight: 314.80442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(CC1=O)CCC(=O)O)(C)C)CCC(=O)CCl

Isomeric SMILES

CC1=C(C(C(CC1=O)CCC(=O)O)(C)C)CCC(=O)CCl

InChI

InChI=1S/C16H23ClO4/c1-10-13(6-5-12(18)9-17)16(2,3)11(8-14(10)19)4-7-15(20)21/h11H,4-9H2,1-3H3,(H,20,21)