(2-heptyl-6-nitro-phenyl)methylphosphonic acid

Systemtic Name: (2-heptyl-6-nitro-phenyl)methylphosphonic acid Openeye Name: (2-heptyl-6-nitro-phenyl)methylphosphonic acid CAS Name: (2-heptyl-6-nitrophenyl)methylphosphonic acid IUPAC Name: (2-heptyl-6-nitrophenyl)methylphosphonic acid Traditional Name: (2-heptyl-6-nitro-benzyl)phosphonic acid Formula: C14H22NO5P MolecularWeight: 315.301941

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C(=CC=C1)[N+](=O)[O-])CP(=O)(O)O

Isomeric SMILES

CCCCCCCC1=C(C(=CC=C1)[N+](=O)[O-])CP(=O)(O)O

InChI

InChI=1S/C14H22NO5P/c1-2-3-4-5-6-8-12-9-7-10-14(15(16)17)13(12)11-21(18,19)20/h7,9-10H,2-6,8,11H2,1H3,(H2,18,19,20)