(4-nitrophenyl) 4-[2,3-bis(oxidanyl)propoxy]benzoate

Systemtic Name: (4-nitrophenyl) 4-[2,3-bis(oxidanyl)propoxy]benzoate Openeye Name: (4-nitrophenyl) 4-(2,3-dihydroxypropoxy)benzoate CAS Name: 4-(2,3-dihydroxypropoxy)benzoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(2,3-dihydroxypropoxy)benzoate Traditional Name: 4-glyceryloxybenzoic acid (4-nitrophenyl) ester Formula: C16H15NO7 MolecularWeight: 333.2928

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])OCC(CO)O

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])OCC(CO)O

InChI

InChI=1S/C16H15NO7/c18-9-13(19)10-23-14-5-1-11(2-6-14)16(20)24-15-7-3-12(4-8-15)17(21)22/h1-8,13,18-19H,9-10H2