(E)-2-(2-cyclohexyloxy-2-oxidanylidene-ethyl)-3-(2-octoxyethyl)but-2-enedioic acid

Systemtic Name: (E)-2-(2-cyclohexyloxy-2-oxidanylidene-ethyl)-3-(2-octoxyethyl)but-2-enedioic acid Openeye Name: (E)-2-[2-(cyclohexoxy)-2-oxo-ethyl]-3-(2-octoxyethyl)but-2-enedioic acid CAS Name: (E)-2-(2-cyclohexyloxy-2-oxoethyl)-3-(2-octoxyethyl)-2-butenedioic acid IUPAC Name: (E)-2-(2-cyclohexyloxy-2-oxoethyl)-3-(2-octoxyethyl)but-2-enedioic acid Traditional Name: (E)-2-[2-(cyclohexoxy)-2-keto-ethyl]-3-(2-octoxyethyl)but-2-enedioic acid Formula: C22H36O7 MolecularWeight: 412.51704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOCCC(=C(CC(=O)OC1CCCCC1)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCOCC/C(=C(/CC(=O)OC1CCCCC1)\C(=O)O)/C(=O)O

InChI

InChI=1S/C22H36O7/c1-2-3-4-5-6-10-14-28-15-13-18(21(24)25)19(22(26)27)16-20(23)29-17-11-8-7-9-12-17/h17H,2-16H2,1H3,(H,24,25)(H,26,27)/b19-18+