[1-(naphthalen-1-ylamino)-2,6-dinitro-hexyl]phosphonic acid

Systemtic Name: [1-(naphthalen-1-ylamino)-2,6-dinitro-hexyl]phosphonic acid Openeye Name: [1-(1-naphthylamino)-2,6-dinitro-hexyl]phosphonic acid CAS Name: [1-(1-naphthalenylamino)-2,6-dinitrohexyl]phosphonic acid IUPAC Name: [1-(naphthalen-1-ylamino)-2,6-dinitrohexyl]phosphonic acid Traditional Name: [1-(1-naphthylamino)-2,6-dinitro-hexyl]phosphonic acid Formula: C16H20N3O7P MolecularWeight: 397.319661

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC(C(CCCC[N+](=O)[O-])[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC(C(CCCC[N+](=O)[O-])[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C16H20N3O7P/c20-18(21)11-4-3-10-15(19(22)23)16(27(24,25)26)17-14-9-5-7-12-6-1-2-8-13(12)14/h1-2,5-9,15-17H,3-4,10-11H2,(H2,24,25,26)