5-chloranyl-2-nitro-4-propan-2-yl-benzenesulfonic acid

Systemtic Name: 5-chloranyl-2-nitro-4-propan-2-yl-benzenesulfonic acid Openeye Name: 5-chloro-4-isopropyl-2-nitro-benzenesulfonic acid CAS Name: 5-chloro-2-nitro-4-propan-2-ylbenzenesulfonic acid IUPAC Name: 5-chloro-2-nitro-4-propan-2-ylbenzenesulfonic acid Traditional Name: 5-chloro-4-isopropyl-2-nitro-besylic acid Formula: C9H10ClNO5S MolecularWeight: 279.6974

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C(C=C1Cl)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=CC(=C(C=C1Cl)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C9H10ClNO5S/c1-5(2)6-3-8(11(12)13)9(4-7(6)10)17(14,15)16/h3-5H,1-2H3,(H,14,15,16)