5-chloranyl-4-hexyl-2-nitro-benzenesulfonic acid

Systemtic Name: 5-chloranyl-4-hexyl-2-nitro-benzenesulfonic acid Openeye Name: 5-chloro-4-hexyl-2-nitro-benzenesulfonic acid CAS Name: 5-chloro-4-hexyl-2-nitrobenzenesulfonic acid IUPAC Name: 5-chloro-4-hexyl-2-nitrobenzenesulfonic acid Traditional Name: 5-chloro-4-hexyl-2-nitro-besylic acid Formula: C12H16ClNO5S MolecularWeight: 321.77714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=C(C=C1Cl)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=CC(=C(C=C1Cl)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H16ClNO5S/c1-2-3-4-5-6-9-7-11(14(15)16)12(8-10(9)13)20(17,18)19/h7-8H,2-6H2,1H3,(H,17,18,19)