[1-(2-hydroxyethyloxy)-3-oxidanyl-propan-2-yl] 2-methylprop-2-enoate; 7-methyloctanoic acid

Systemtic Name: [1-(2-hydroxyethyloxy)-3-oxidanyl-propan-2-yl] 2-methylprop-2-enoate; 7-methyloctanoic acid Openeye Name: [2-hydroxy-1-(2-hydroxyethoxymethyl)ethyl] 2-methylprop-2-enoate; 7-methyloctanoic acid CAS Name: 7-methyloctanoic acid; 2-methyl-2-propenoic acid [1-hydroxy-3-(2-hydroxyethoxy)propan-2-yl] ester IUPAC Name: [1-hydroxy-3-(2-hydroxyethoxy)propan-2-yl] 2-methylprop-2-enoate; 7-methyloctanoic acid Traditional Name: 2-methylacrylic acid [2-hydroxy-1-(2-hydroxyethoxymethyl)ethyl] ester; 7-methylcaprylic acid Formula: C18H34O7 MolecularWeight: 362.45836

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCC(=O)O.CC(=C)C(=O)OC(CO)COCCO

Isomeric SMILES

CC(C)CCCCCC(=O)O.CC(=C)C(=O)OC(CO)COCCO

InChI

InChI=1S/C9H16O5.C9H18O2/c1-7(2)9(12)14-8(5-11)6-13-4-3-10;1-8(2)6-4-3-5-7-9(10)11/h8,10-11H,1,3-6H2,2H3;8H,3-7H2,1-2H3,(H,10,11)