1-bromanyl-2-phenyl-propan-2-ol; methylbenzene; (sulfonylamino)methane

Systemtic Name: 1-bromanyl-2-phenyl-propan-2-ol; methylbenzene; (sulfonylamino)methane Openeye Name: 1-bromo-2-phenyl-propan-2-ol; (sulfonylamino)methane; toluene CAS Name: 1-bromo-2-phenyl-2-propanol; (sulfonylamino)methane; toluene IUPAC Name: 1-bromo-2-phenylpropan-2-ol; (sulfonylamino)methane; toluene Traditional Name: 1-bromo-2-phenyl-propan-2-ol; (sulfonylamino)methane; toluene Formula: C17H22BrNO3S MolecularWeight: 400.33048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1.CC(CBr)(C1=CC=CC=C1)O.CN=S(=O)=O

Isomeric SMILES

CC1=CC=CC=C1.CC(CBr)(C1=CC=CC=C1)O.CN=S(=O)=O

InChI

InChI=1S/C9H11BrO.C7H8.CH3NO2S/c1-9(11,7-10)8-5-3-2-4-6-8;1-7-5-3-2-4-6-7;1-2-5(3)4/h2-6,11H,7H2,1H3;2-6H,1H3;1H3