2-ethylhexanoic acid; (Z)-2-methoxy-3-phenyl-prop-2-enoic acid

Systemtic Name: 2-ethylhexanoic acid; (Z)-2-methoxy-3-phenyl-prop-2-enoic acid Openeye Name: 2-ethylhexanoic acid; (Z)-2-methoxy-3-phenyl-prop-2-enoic acid CAS Name: 2-ethylhexanoic acid; (Z)-2-methoxy-3-phenyl-2-propenoic acid IUPAC Name: 2-ethylhexanoic acid; (Z)-2-methoxy-3-phenylprop-2-enoic acid Traditional Name: 2-ethylhexanoic acid; (Z)-2-methoxy-3-phenyl-acrylic acid Formula: C18H26O5 MolecularWeight: 322.39604

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)O.COC(=CC1=CC=CC=C1)C(=O)O

Isomeric SMILES

CCCCC(CC)C(=O)O.CO/C(=C\C1=CC=CC=C1)/C(=O)O

InChI

InChI=1S/C10H10O3.C8H16O2/c1-13-9(10(11)12)7-8-5-3-2-4-6-8;1-3-5-6-7(4-2)8(9)10/h2-7H,1H3,(H,11,12);7H,3-6H2,1-2H3,(H,9,10)/b9-7-;