(1S,3S,4R)-3-[2-[(E)-2,2-bis(chloranyl)hex-4-enoyl]oxyethoxy]-7,7-dimethyl-bicyclo[2.2.1]heptane-4-carboxylic acid

Systemtic Name: (1S,3S,4R)-3-[2-[(E)-2,2-bis(chloranyl)hex-4-enoyl]oxyethoxy]-7,7-dimethyl-bicyclo[2.2.1]heptane-4-carboxylic acid Openeye Name: (1R,2S,4S)-2-[2-[(E)-2,2-dichlorohex-4-enoyl]oxyethoxy]-7,7-dimethyl-norbornane-1-carboxylic acid CAS Name: (1S,3S,4R)-3-[2-[(E)-2,2-dichloro-1-oxohex-4-enoxy]ethoxy]-7,7-dimethyl-4-bicyclo[2.2.1]heptanecarboxylic acid IUPAC Name: (1S,3S,4R)-3-[2-[(E)-2,2-dichlorohex-4-enoyl]oxyethoxy]-7,7-dimethylbicyclo[2.2.1]heptane-4-carboxylic acid Traditional Name: (1R,2S,4S)-2-[2-[(E)-2,2-dichlorohex-4-enoyl]oxyethoxy]-7,7-dimethyl-norbornane-1-carboxylic acid Formula: C18H26Cl2O5 MolecularWeight: 393.30204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=CCC(C(=O)OCCOC1CC2CCC1(C2(C)C)C(=O)O)(Cl)Cl

Isomeric SMILES

C/C=C/CC(C(=O)OCCO[C@H]1C[C@@H]2CC[C@]1(C2(C)C)C(=O)O)(Cl)Cl

InChI

InChI=1S/C18H26Cl2O5/c1-4-5-7-18(19,20)15(23)25-10-9-24-13-11-12-6-8-17(13,14(21)22)16(12,2)3/h4-5,12-13H,6-11H2,1-3H3,(H,21,22)/b5-4+/t12-,13-,17+/m0/s1