3-[2-nitro-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid

Systemtic Name: 3-[2-nitro-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Openeye Name: [1-ethyl-1-[4-(1-ethyl-1-phosphono-propyl)-2-nitro-phenyl]propyl]phosphonic acid CAS Name: 3-[2-nitro-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid IUPAC Name: 3-[2-nitro-4-(3-phosphonopentan-3-yl)phenyl]pentan-3-ylphosphonic acid Traditional Name: [1-ethyl-1-[4-(1-ethyl-1-phosphono-propyl)-2-nitro-phenyl]propyl]phosphonic acid Formula: C16H27NO8P2 MolecularWeight: 423.335002

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C1=CC(=C(C=C1)C(CC)(CC)P(=O)(O)O)[N+](=O)[O-])P(=O)(O)O

Isomeric SMILES

CCC(CC)(C1=CC(=C(C=C1)C(CC)(CC)P(=O)(O)O)[N+](=O)[O-])P(=O)(O)O

InChI

InChI=1S/C16H27NO8P2/c1-5-15(6-2,26(20,21)22)12-9-10-13(14(11-12)17(18)19)16(7-3,8-4)27(23,24)25/h9-11H,5-8H2,1-4H3,(H2,20,21,22)(H2,23,24,25)