6-[[(2S)-2-acetyloxy-3-[(4-nitrophenyl)methoxy]propoxy]-oxidanyl-phosphoryl]hexanoic acid

Systemtic Name: 6-[[(2S)-2-acetyloxy-3-[(4-nitrophenyl)methoxy]propoxy]-oxidanyl-phosphoryl]hexanoic acid Openeye Name: 6-[[(2S)-2-acetoxy-3-[(4-nitrophenyl)methoxy]propoxy]-hydroxy-phosphoryl]hexanoic acid CAS Name: 6-[[(2S)-2-acetyloxy-3-[(4-nitrophenyl)methoxy]propoxy]-hydroxyphosphoryl]hexanoic acid IUPAC Name: 6-[[(2S)-2-acetyloxy-3-[(4-nitrophenyl)methoxy]propoxy]-hydroxyphosphoryl]hexanoic acid Traditional Name: 6-[[(2S)-2-acetoxy-3-(4-nitrobenzyl)oxy-propoxy]-hydroxy-phosphoryl]hexanoic acid Formula: C18H26NO10P MolecularWeight: 447.373501

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(COCC1=CC=C(C=C1)[N+](=O)[O-])COP(=O)(CCCCCC(=O)O)O

Isomeric SMILES

CC(=O)O[C@@H](COCC1=CC=C(C=C1)[N+](=O)[O-])COP(=O)(CCCCCC(=O)O)O

InChI

InChI=1S/C18H26NO10P/c1-14(20)29-17(12-27-11-15-6-8-16(9-7-15)19(23)24)13-28-30(25,26)10-4-2-3-5-18(21)22/h6-9,17H,2-5,10-13H2,1H3,(H,21,22)(H,25,26)/t17-/m0/s1