4,5-bis(oxidanyl)pentan-2-yl hexanoate; (E)-2,3-dimethoxy-3-phenyl-prop-2-enoic acid

Systemtic Name: 4,5-bis(oxidanyl)pentan-2-yl hexanoate; (E)-2,3-dimethoxy-3-phenyl-prop-2-enoic acid Openeye Name: (3,4-dihydroxy-1-methyl-butyl) hexanoate; (E)-2,3-dimethoxy-3-phenyl-prop-2-enoic acid CAS Name: (E)-2,3-dimethoxy-3-phenyl-2-propenoic acid; hexanoic acid 4,5-dihydroxypentan-2-yl ester IUPAC Name: 4,5-dihydroxypentan-2-yl hexanoate; (E)-2,3-dimethoxy-3-phenylprop-2-enoic acid Traditional Name: (E)-2,3-dimethoxy-3-phenyl-acrylic acid; hexanoic acid (3,4-dihydroxy-1-methyl-butyl) ester Formula: C22H34O8 MolecularWeight: 426.50056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)OC(C)CC(CO)O.COC(=C(C(=O)O)OC)C1=CC=CC=C1

Isomeric SMILES

CCCCCC(=O)OC(C)CC(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;1-3-4-5-6-11(14)15-9(2)7-10(13)8-12/h3-7H,1-2H3,(H,12,13);9-10,12-13H,3-8H2,1-2H3/b10-9+;