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

Systemtic Name: 2-ethylhexanoic acid; (E)-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: 2-ethylhexanoic acid; (E)-3-(4-methoxyphenyl)prop-2-enoate CAS Name: 2-ethylhexanoic acid; (E)-3-(4-methoxyphenyl)-2-propenoate IUPAC Name: 2-ethylhexanoic acid; (E)-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: 2-ethylhexanoic acid; (E)-3-(4-methoxyphenyl)acrylate Formula: C18H25O5- MolecularWeight: 321.3881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)O.COC1=CC=C(C=C1)C=CC(=O)[O-]

Isomeric SMILES

CCCCC(CC)C(=O)O.COC1=CC=C(C=C1)/C=C/C(=O)[O-]

InChI

InChI=1S/C10H10O3.C8H16O2/c1-13-9-5-2-8(3-6-9)4-7-10(11)12;1-3-5-6-7(4-2)8(9)10/h2-7H,1H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10)/p-1/b7-4+;