butan-1-ol; methylbenzene; nitromethane

Systemtic Name: butan-1-ol; methylbenzene; nitromethane Openeye Name: butan-1-ol; nitromethane; toluene CAS Name: 1-butanol; nitromethane; toluene IUPAC Name: butan-1-ol; nitromethane; toluene Traditional Name: butan-1-ol; nitromethane; toluene Formula: C12H21NO3 MolecularWeight: 227.30004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8.C4H10O.CH3NO2/c1-7-5-3-2-4-6-7;1-2-3-4-5;1-2(3)4/h2-6H,1H3;5H,2-4H2,1H3;1H3