[5-(3-hex-1-ynylpyrazin-2-yl)furan-2-yl]phosphonic acid

Systemtic Name: [5-(3-hex-1-ynylpyrazin-2-yl)furan-2-yl]phosphonic acid Openeye Name: [5-(3-hex-1-ynylpyrazin-2-yl)-2-furyl]phosphonic acid CAS Name: [5-(3-hex-1-ynyl-2-pyrazinyl)-2-furanyl]phosphonic acid IUPAC Name: [5-(3-hex-1-ynylpyrazin-2-yl)furan-2-yl]phosphonic acid Traditional Name: [5-(3-hex-1-ynylpyrazin-2-yl)-2-furyl]phosphonic acid Formula: C14H15N2O4P MolecularWeight: 306.253661

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC#CC1=NC=CN=C1C2=CC=C(O2)P(=O)(O)O

Isomeric SMILES

CCCCC#CC1=NC=CN=C1C2=CC=C(O2)P(=O)(O)O

InChI

InChI=1S/C14H15N2O4P/c1-2-3-4-5-6-11-14(16-10-9-15-11)12-7-8-13(20-12)21(17,18)19/h7-10H,2-4H2,1H3,(H2,17,18,19)