(E)-3-(4-oct-1-ynylphenyl)prop-2-enoic acid

Systemtic Name: (E)-3-(4-oct-1-ynylphenyl)prop-2-enoic acid Openeye Name: (E)-3-(4-oct-1-ynylphenyl)prop-2-enoic acid CAS Name: (E)-3-(4-oct-1-ynylphenyl)-2-propenoic acid IUPAC Name: (E)-3-(4-oct-1-ynylphenyl)prop-2-enoic acid Traditional Name: (E)-3-(4-oct-1-ynylphenyl)acrylic acid Formula: C17H20O2 MolecularWeight: 256.3395

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC#CC1=CC=C(C=C1)C=CC(=O)O

Isomeric SMILES

CCCCCCC#CC1=CC=C(C=C1)/C=C/C(=O)O

InChI

InChI=1S/C17H20O2/c1-2-3-4-5-6-7-8-15-9-11-16(12-10-15)13-14-17(18)19/h9-14H,2-6H2,1H3,(H,18,19)/b14-13+