2-ethylhexanoic acid; (E)-3-(4-methoxyphenyl)prop-2-enoic acid

Systemtic Name: 2-ethylhexanoic acid; (E)-3-(4-methoxyphenyl)prop-2-enoic acid Openeye Name: 2-ethylhexanoic acid; (E)-3-(4-methoxyphenyl)prop-2-enoic acid CAS Name: 2-ethylhexanoic acid; (E)-3-(4-methoxyphenyl)-2-propenoic acid IUPAC Name: 2-ethylhexanoic acid; (E)-3-(4-methoxyphenyl)prop-2-enoic acid Traditional Name: 2-ethylhexanoic acid; (E)-3-(4-methoxyphenyl)acrylic acid Formula: C28H36O8 MolecularWeight: 500.58064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C10H10O3.C8H16O2/c2*1-13-9-5-2-8(3-6-9)4-7-10(11)12;1-3-5-6-7(4-2)8(9)10/h2*2-7H,1H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10)/b2*7-4+;