2-[(2-iodanyl-4-nitro-phenyl)methoxy]-2-phosphorosooxy-hexanoic acid

Systemtic Name: 2-[(2-iodanyl-4-nitro-phenyl)methoxy]-2-phosphorosooxy-hexanoic acid Openeye Name: 2-[(2-iodo-4-nitro-phenyl)methoxy]-2-phosphorosooxy-hexanoic acid CAS Name: 2-[(2-iodo-4-nitrophenyl)methoxy]-2-phosphorosooxyhexanoic acid IUPAC Name: 2-[(2-iodo-4-nitrophenyl)methoxy]-2-phosphorosooxyhexanoic acid Traditional Name: 2-(2-iodo-4-nitro-benzyl)oxy-2-phosphorosooxy-hexanoic acid Formula: C13H15INO7P MolecularWeight: 455.138931

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)(OCC1=C(C=C(C=C1)[N+](=O)[O-])I)OP=O

Isomeric SMILES

CCCCC(C(=O)O)(OCC1=C(C=C(C=C1)[N+](=O)[O-])I)OP=O

InChI

InChI=1S/C13H15INO7P/c1-2-3-6-13(12(16)17,22-23-20)21-8-9-4-5-10(15(18)19)7-11(9)14/h4-5,7H,2-3,6,8H2,1H3,(H,16,17)