2-methylbutyl (E)-3-[4-[2-(4-hex-1-ynylphenyl)ethynyl]phenyl]prop-2-enoate

Systemtic Name: 2-methylbutyl (E)-3-[4-[2-(4-hex-1-ynylphenyl)ethynyl]phenyl]prop-2-enoate Openeye Name: 2-methylbutyl (E)-3-[4-[2-(4-hex-1-ynylphenyl)ethynyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[2-(4-hex-1-ynylphenyl)ethynyl]phenyl]-2-propenoic acid 2-methylbutyl ester IUPAC Name: 2-methylbutyl (E)-3-[4-[2-(4-hex-1-ynylphenyl)ethynyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[2-(4-hex-1-ynylphenyl)ethynyl]phenyl]acrylic acid 2-methylbutyl ester Formula: C28H30O2 MolecularWeight: 398.5366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C=CC(=O)OCC(C)CC

Isomeric SMILES

CCCCC#CC1=CC=C(C=C1)C#CC2=CC=C(C=C2)/C=C/C(=O)OCC(C)CC

InChI

InChI=1S/C28H30O2/c1-4-6-7-8-9-24-10-12-25(13-11-24)14-15-26-16-18-27(19-17-26)20-21-28(29)30-22-23(3)5-2/h10-13,16-21,23H,4-7,22H2,1-3H3/b21-20+