2,3-bis(oxidanyl)propyl 2-ethylhexanoate; (E)-2,3-dimethoxy-3-phenyl-prop-2-enoic acid

Systemtic Name: 2,3-bis(oxidanyl)propyl 2-ethylhexanoate; (E)-2,3-dimethoxy-3-phenyl-prop-2-enoic acid Openeye Name: 2,3-dihydroxypropyl 2-ethylhexanoate; (E)-2,3-dimethoxy-3-phenyl-prop-2-enoic acid CAS Name: (E)-2,3-dimethoxy-3-phenyl-2-propenoic acid; 2-ethylhexanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 2-ethylhexanoate; (E)-2,3-dimethoxy-3-phenylprop-2-enoic acid Traditional Name: (E)-2,3-dimethoxy-3-phenyl-acrylic acid; 2-ethylhexanoic acid glyceryl ester Formula: C22H34O8 MolecularWeight: 426.50056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OCC(CO)O.COC(=C(C(=O)O)OC)C1=CC=CC=C1

Isomeric SMILES

CCCCC(CC)C(=O)OCC(CO)O.CO/C(=C(\C(=O)O)/OC)/C1=CC=CC=C1

InChI

InChI=1S/C11H12O4.C11H22O4/c1-14-9(10(15-2)11(12)13)8-6-4-3-5-7-8;1-3-5-6-9(4-2)11(14)15-8-10(13)7-12/h3-7H,1-2H3,(H,12,13);9-10,12-13H,3-8H2,1-2H3/b10-9+;