1-ethoxy-2-(ethoxymethyl)-4-(4-hexylphenyl)-3-nitro-butan-2-ol

Systemtic Name: 1-ethoxy-2-(ethoxymethyl)-4-(4-hexylphenyl)-3-nitro-butan-2-ol Openeye Name: 1-ethoxy-2-(ethoxymethyl)-4-(4-hexylphenyl)-3-nitro-butan-2-ol CAS Name: 1-ethoxy-2-(ethoxymethyl)-4-(4-hexylphenyl)-3-nitro-2-butanol IUPAC Name: 1-ethoxy-2-(ethoxymethyl)-4-(4-hexylphenyl)-3-nitrobutan-2-ol Traditional Name: 1-ethoxy-2-(ethoxymethyl)-4-(4-hexylphenyl)-3-nitro-butan-2-ol Formula: C21H35NO5 MolecularWeight: 381.5063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)CC(C(COCC)(COCC)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)CC(C(COCC)(COCC)O)[N+](=O)[O-]

InChI

InChI=1S/C21H35NO5/c1-4-7-8-9-10-18-11-13-19(14-12-18)15-20(22(24)25)21(23,16-26-5-2)17-27-6-3/h11-14,20,23H,4-10,15-17H2,1-3H3