2-deuterio-1-(4-nitrophenyl)heptane-2,3-diol

Systemtic Name: 2-deuterio-1-(4-nitrophenyl)heptane-2,3-diol Openeye Name: 2-deuterio-1-(4-nitrophenyl)heptane-2,3-diol CAS Name: 2-deuterio-1-(4-nitrophenyl)heptane-2,3-diol IUPAC Name: 2-deuterio-1-(4-nitrophenyl)heptane-2,3-diol Traditional Name: 2-deuterio-1-(4-nitrophenyl)heptane-2,3-diol Formula: C13H19NO4 MolecularWeight: 254.300422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(CC1=CC=C(C=C1)[N+](=O)[O-])O)O

Isomeric SMILES

[2H]C(CC1=CC=C(C=C1)[N+](=O)[O-])(C(CCCC)O)O

InChI

InChI=1S/C13H19NO4/c1-2-3-4-12(15)13(16)9-10-5-7-11(8-6-10)14(17)18/h5-8,12-13,15-16H,2-4,9H2,1H3/i13D