[(E)-2-(2-tridec-1-ynylphenyl)ethenyl]phosphonic acid

Systemtic Name: [(E)-2-(2-tridec-1-ynylphenyl)ethenyl]phosphonic acid Openeye Name: [(E)-2-(2-tridec-1-ynylphenyl)vinyl]phosphonic acid CAS Name: [(E)-2-(2-tridec-1-ynylphenyl)ethenyl]phosphonic acid IUPAC Name: [(E)-2-(2-tridec-1-ynylphenyl)ethenyl]phosphonic acid Traditional Name: [(E)-2-(2-tridec-1-ynylphenyl)vinyl]phosphonic acid Formula: C21H31O3P MolecularWeight: 362.442801

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CC1=CC=CC=C1C=CP(=O)(O)O

Isomeric SMILES

CCCCCCCCCCCC#CC1=CC=CC=C1/C=C/P(=O)(O)O

InChI

InChI=1S/C21H31O3P/c1-2-3-4-5-6-7-8-9-10-11-12-15-20-16-13-14-17-21(20)18-19-25(22,23)24/h13-14,16-19H,2-11H2,1H3,(H2,22,23,24)/b19-18+