2-(4-decylphenyl)-2-nitro-propane-1,3-diol

Systemtic Name: 2-(4-decylphenyl)-2-nitro-propane-1,3-diol Openeye Name: 2-(4-decylphenyl)-2-nitro-propane-1,3-diol CAS Name: 2-(4-decylphenyl)-2-nitropropane-1,3-diol IUPAC Name: 2-(4-decylphenyl)-2-nitropropane-1,3-diol Traditional Name: 2-(4-decylphenyl)-2-nitro-propane-1,3-diol Formula: C19H31NO4 MolecularWeight: 337.45374

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC=C(C=C1)C(CO)(CO)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCC1=CC=C(C=C1)C(CO)(CO)[N+](=O)[O-]

InChI

InChI=1S/C19H31NO4/c1-2-3-4-5-6-7-8-9-10-17-11-13-18(14-12-17)19(15-21,16-22)20(23)24/h11-14,21-22H,2-10,15-16H2,1H3