[6-[2-[4-(2-methylpropyl)phenyl]ethanoylamino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid

Systemtic Name: [6-[2-[4-(2-methylpropyl)phenyl]ethanoylamino]-1-oxidanyl-1-phosphono-hexyl]phosphonic acid Openeye Name: [1-hydroxy-6-[[2-(4-isobutylphenyl)acetyl]amino]-1-phosphono-hexyl]phosphonic acid CAS Name: [1-hydroxy-6-[[2-[4-(2-methylpropyl)phenyl]-1-oxoethyl]amino]-1-phosphonohexyl]phosphonic acid IUPAC Name: [1-hydroxy-6-[[2-[4-(2-methylpropyl)phenyl]acetyl]amino]-1-phosphonohexyl]phosphonic acid Traditional Name: [1-hydroxy-6-[[2-(4-isobutylphenyl)acetyl]amino]-1-phosphono-hexyl]phosphonic acid Formula: C18H31NO8P2 MolecularWeight: 451.388162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)CC(=O)NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)CC(=O)NCCCCCC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C18H31NO8P2/c1-14(2)12-15-6-8-16(9-7-15)13-17(20)19-11-5-3-4-10-18(21,28(22,23)24)29(25,26)27/h6-9,14,21H,3-5,10-13H2,1-2H3,(H,19,20)(H2,22,23,24)(H2,25,26,27)