3-(3,4-diethyl-5-phosphono-furan-2-yl)-5-nitro-benzoic acid

Systemtic Name: 3-(3,4-diethyl-5-phosphono-furan-2-yl)-5-nitro-benzoic acid Openeye Name: 3-(3,4-diethyl-5-phosphono-2-furyl)-5-nitro-benzoic acid CAS Name: 3-(3,4-diethyl-5-phosphono-2-furanyl)-5-nitrobenzoic acid IUPAC Name: 3-(3,4-diethyl-5-phosphonofuran-2-yl)-5-nitrobenzoic acid Traditional Name: 3-(3,4-diethyl-5-phosphono-2-furyl)-5-nitro-benzoic acid Formula: C15H16NO8P MolecularWeight: 369.263201

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(OC(=C1CC)P(=O)(O)O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CCC1=C(OC(=C1CC)P(=O)(O)O)C2=CC(=CC(=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C15H16NO8P/c1-3-11-12(4-2)15(25(21,22)23)24-13(11)8-5-9(14(17)18)7-10(6-8)16(19)20/h5-7H,3-4H2,1-2H3,(H,17,18)(H2,21,22,23)