[1-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxy-3-oxidanyl-propan-2-yl] 2-ethylhexanoate

Systemtic Name: [1-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxy-3-oxidanyl-propan-2-yl] 2-ethylhexanoate Openeye Name: [1-[[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxymethyl]-2-hydroxy-ethyl] 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid [1-[(E)-3-(2,3-dimethoxyphenyl)-1-oxoprop-2-enoxy]-3-hydroxypropan-2-yl] ester IUPAC Name: [1-[(E)-3-(2,3-dimethoxyphenyl)prop-2-enoyl]oxy-3-hydroxypropan-2-yl] 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid [1-[[(E)-3-(2,3-dimethoxyphenyl)acryloyl]oxymethyl]-2-hydroxy-ethyl] ester Formula: C22H32O7 MolecularWeight: 408.48528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OC(CO)COC(=O)C=CC1=C(C(=CC=C1)OC)OC

Isomeric SMILES

CCCCC(CC)C(=O)OC(CO)COC(=O)/C=C/C1=C(C(=CC=C1)OC)OC

InChI

InChI=1S/C22H32O7/c1-5-7-9-16(6-2)22(25)29-18(14-23)15-28-20(24)13-12-17-10-8-11-19(26-3)21(17)27-4/h8,10-13,16,18,23H,5-7,9,14-15H2,1-4H3/b13-12+