methyl (E)-3-[2-[6-(oxan-2-yloxy)hex-1-ynyl]-5-oxidanyl-phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[2-[6-(oxan-2-yloxy)hex-1-ynyl]-5-oxidanyl-phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[5-hydroxy-2-(6-tetrahydropyran-2-yloxyhex-1-ynyl)phenyl]prop-2-enoate CAS Name: (E)-3-[5-hydroxy-2-[6-(2-oxanyloxy)hex-1-ynyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[5-hydroxy-2-[6-(oxan-2-yloxy)hex-1-ynyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[5-hydroxy-2-(6-tetrahydropyran-2-yloxyhex-1-ynyl)phenyl]acrylic acid methyl ester Formula: C21H26O5 MolecularWeight: 358.42814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1=C(C=CC(=C1)O)C#CCCCCOC2CCCCO2

Isomeric SMILES

COC(=O)/C=C/C1=C(C=CC(=C1)O)C#CCCCCOC2CCCCO2

InChI

InChI=1S/C21H26O5/c1-24-20(23)13-11-18-16-19(22)12-10-17(18)8-4-2-3-6-14-25-21-9-5-7-15-26-21/h10-13,16,21-22H,2-3,5-7,9,14-15H2,1H3/b13-11+