2,4-bis(1-nitrobutyl)phenol

Systemtic Name: 2,4-bis(1-nitrobutyl)phenol Openeye Name: 2,4-bis(1-nitrobutyl)phenol CAS Name: 2,4-bis(1-nitrobutyl)phenol IUPAC Name: 2,4-bis(1-nitrobutyl)phenol Traditional Name: 2,4-bis(1-nitrobutyl)phenol Formula: C14H20N2O5 MolecularWeight: 296.319

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O5/c1-3-5-12(15(18)19)10-7-8-14(17)11(9-10)13(6-4-2)16(20)21/h7-9,12-13,17H,3-6H2,1-2H3