2-[1-carboxy-4-(2-methylpropyl)-2-oxidanylidene-cyclohex-3-en-1-yl]propanoate

Systemtic Name: 2-[1-carboxy-4-(2-methylpropyl)-2-oxidanylidene-cyclohex-3-en-1-yl]propanoate Openeye Name: 2-(1-carboxy-4-isobutyl-2-oxo-cyclohex-3-en-1-yl)propanoate CAS Name: 2-[1-carboxy-4-(2-methylpropyl)-2-oxo-1-cyclohex-3-enyl]propanoate IUPAC Name: 2-[1-carboxy-4-(2-methylpropyl)-2-oxocyclohex-3-en-1-yl]propanoate Traditional Name: 2-(1-carboxy-4-isobutyl-2-keto-cyclohex-3-en-1-yl)propionate Formula: C14H19O5- MolecularWeight: 267.29766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC(=O)C(CC1)(C(C)C(=O)[O-])C(=O)O

Isomeric SMILES

CC(C)CC1=CC(=O)C(CC1)(C(C)C(=O)[O-])C(=O)O

InChI

InChI=1S/C14H20O5/c1-8(2)6-10-4-5-14(13(18)19,11(15)7-10)9(3)12(16)17/h7-9H,4-6H2,1-3H3,(H,16,17)(H,18,19)/p-1