[2-[2-[3-(nonanoylamino)prop-1-ynyl]phenyl]-1-phosphono-ethenyl]phosphonic acid

Systemtic Name: [2-[2-[3-(nonanoylamino)prop-1-ynyl]phenyl]-1-phosphono-ethenyl]phosphonic acid Openeye Name: [2-[2-[3-(nonanoylamino)prop-1-ynyl]phenyl]-1-phosphono-vinyl]phosphonic acid CAS Name: [2-[2-[3-(1-oxononylamino)prop-1-ynyl]phenyl]-1-phosphonoethenyl]phosphonic acid IUPAC Name: [2-[2-[3-(nonanoylamino)prop-1-ynyl]phenyl]-1-phosphonoethenyl]phosphonic acid Traditional Name: [2-[2-[3-(pelargonylamino)prop-1-ynyl]phenyl]-1-phosphono-vinyl]phosphonic acid Formula: C20H29NO7P2 MolecularWeight: 457.394282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29NO7P2/c1-2-3-4-5-6-7-14-19(22)21-15-10-13-17-11-8-9-12-18(17)16-20(29(23,24)25)30(26,27)28/h8-9,11-12,16H,2-7,14-15H2,1H3,(H,21,22)(H2,23,24,25)(H2,26,27,28)