ethyne; (E)-3-phenylprop-2-enoate

Systemtic Name: ethyne; (E)-3-phenylprop-2-enoate Openeye Name: acetylene; (E)-3-phenylprop-2-enoate CAS Name: acetylene; (E)-3-phenyl-2-propenoate IUPAC Name: acetylene; (E)-3-phenylprop-2-enoate Traditional Name: acetylene; (E)-3-phenylacrylate Formula: C13H11O2- MolecularWeight: 199.22524

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Descriptors Computed from Structure

Canonical SMILES:

C#C.C#C.C1=CC=C(C=C1)C=CC(=O)[O-]

Isomeric SMILES

C#C.C#C.C1=CC=C(C=C1)/C=C/C(=O)[O-]

InChI

InChI=1S/C9H8O2.2C2H2/c10-9(11)7-6-8-4-2-1-3-5-8;2*1-2/h1-7H,(H,10,11);2*1-2H/p-1/b7-6+;;