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

Systemtic Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid; octanoate Openeye Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid; octanoate CAS Name: (E)-3-(4-methoxyphenyl)-2-propenoic acid; octanoate IUPAC Name: (E)-3-(4-methoxyphenyl)prop-2-enoic acid; octanoate Traditional Name: caprylate; (E)-3-(4-methoxyphenyl)acrylic acid Formula: C28H35O8- MolecularWeight: 499.5727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC(=O)[O-].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;1-2-3-4-5-6-7-8(9)10/h2*2-7H,1H3,(H,11,12);2-7H2,1H3,(H,9,10)/p-1/b2*7-4+;