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3-nitro-4-propan-2-yl-benzenesulfonic acid

3-nitro-4-propan-2-yl-benzenesulfonic acid

Systemtic Name:3-nitro-4-propan-2-yl-benzenesulfonic acid
Openeye Name:4-isopropyl-3-nitro-benzenesulfonic acid
CAS Name:3-nitro-4-propan-2-ylbenzenesulfonic acid
IUPAC Name:3-nitro-4-propan-2-ylbenzenesulfonic acid
Traditional Name:4-isopropyl-3-nitro-besylic acid
Formula: C9H11NO5S
MolecularWeight: 245.25234
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C9H11NO5S/c1-6(2)8-4-3-7(16(13,14)15)5-9(8)10(11)12/h3-6H,1-2H3,(H,13,14,15)


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