3-ethyl-3-(3-nitrophenyl)pentane-1,5-diol

Systemtic Name: 3-ethyl-3-(3-nitrophenyl)pentane-1,5-diol Openeye Name: 3-ethyl-3-(3-nitrophenyl)pentane-1,5-diol CAS Name: 3-ethyl-3-(3-nitrophenyl)pentane-1,5-diol IUPAC Name: 3-ethyl-3-(3-nitrophenyl)pentane-1,5-diol Traditional Name: 3-ethyl-3-(3-nitrophenyl)pentane-1,5-diol Formula: C13H19NO4 MolecularWeight: 253.29426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4/c1-2-13(6-8-15,7-9-16)11-4-3-5-12(10-11)14(17)18/h3-5,10,15-16H,2,6-9H2,1H3