2,3-bis(oxidanyl)propyl 2-ethylhexanoate; (E)-3-(4-methoxyphenyl)prop-2-enoic acid

Systemtic Name: 2,3-bis(oxidanyl)propyl 2-ethylhexanoate; (E)-3-(4-methoxyphenyl)prop-2-enoic acid Openeye Name: 2,3-dihydroxypropyl 2-ethylhexanoate; (E)-3-(4-methoxyphenyl)prop-2-enoic acid CAS Name: 2-ethylhexanoic acid 2,3-dihydroxypropyl ester; (E)-3-(4-methoxyphenyl)-2-propenoic acid IUPAC Name: 2,3-dihydroxypropyl 2-ethylhexanoate; (E)-3-(4-methoxyphenyl)prop-2-enoic acid Traditional Name: 2-ethylhexanoic acid glyceryl ester; (E)-3-(4-methoxyphenyl)acrylic acid Formula: C31H42O10 MolecularWeight: 574.65918

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)OCC(CO)O.COC1=CC=C(C=C1)C=CC(=O)O.COC1=CC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CCCCC(C(=O)OCC(O)CO)CC.COC1=CC=C(C=C1)/C=C/C(=O)O.COC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C11H22O4.2C10H10O3/c1-3-5-6-9(4-2)11(14)15-8-10(13)7-12;2*1-13-9-5-2-8(3-6-9)4-7-10(11)12/h9-10,12-13H,3-8H2,1-2H3;2*2-7H,1H3,(H,11,12)/b;2*7-4+