methyl 3-[4-(1,2,4,5-tetraoxepan-3-yl)phenyl]propanoate

Systemtic Name: methyl 3-[4-(1,2,4,5-tetraoxepan-3-yl)phenyl]propanoate Openeye Name: methyl 3-[4-(1,2,4,5-tetraoxepan-3-yl)phenyl]propanoate CAS Name: 3-[4-(1,2,4,5-tetraoxepan-3-yl)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-(1,2,4,5-tetraoxepan-3-yl)phenyl]propanoate Traditional Name: 3-[4-(1,2,4,5-tetraoxepan-3-yl)phenyl]propionic acid methyl ester Formula: C13H16O6 MolecularWeight: 268.26254

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)C2OOCCOO2

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)C2OOCCOO2

InChI

InChI=1S/C13H16O6/c1-15-12(14)7-4-10-2-5-11(6-3-10)13-18-16-8-9-17-19-13/h2-3,5-6,13H,4,7-9H2,1H3