N-[3-[6-(1,1-diphosphonatobut-1-en-2-yl)-2,3,4-triethyl-phenyl]prop-2-ynyl]nonanamide

Systemtic Name: N-[3-[6-(1,1-diphosphonatobut-1-en-2-yl)-2,3,4-triethyl-phenyl]prop-2-ynyl]nonanamide Openeye Name: N-[3-[6-[1-(diphosphonatomethylene)propyl]-2,3,4-triethyl-phenyl]prop-2-ynyl]nonanamide CAS Name: N-[3-[6-(1,1-diphosphonatobut-1-en-2-yl)-2,3,4-triethylphenyl]prop-2-ynyl]nonanamide IUPAC Name: N-[3-[6-(1,1-diphosphonatobut-1-en-2-yl)-2,3,4-triethylphenyl]prop-2-ynyl]nonanamide Traditional Name: N-[3-[2,3,4-triethyl-6-(1-ethyl-2,2-diphosphonato-vinyl)phenyl]prop-2-ynyl]pelargonamide Formula: C28H41NO7P2-4 MolecularWeight: 565.575162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)NCC#CC1=C(C(=C(C=C1C(=C(P(=O)([O-])[O-])P(=O)([O-])[O-])CC)CC)CC)CC

Isomeric SMILES

CCCCCCCCC(=O)NCC#CC1=C(C(=C(C=C1C(=C(P(=O)([O-])[O-])P(=O)([O-])[O-])CC)CC)CC)CC

InChI

InChI=1S/C28H45NO7P2/c1-6-11-12-13-14-15-18-27(30)29-19-16-17-25-23(9-4)22(8-3)21(7-2)20-26(25)24(10-5)28(37(31,32)33)38(34,35)36/h20H,6-15,18-19H2,1-5H3,(H,29,30)(H2,31,32,33)(H2,34,35,36)/p-4