(3-hexyl-4-nitro-phenyl)sulfamic acid

Systemtic Name: (3-hexyl-4-nitro-phenyl)sulfamic acid Openeye Name: (3-hexyl-4-nitro-phenyl)sulfamic acid CAS Name: (3-hexyl-4-nitrophenyl)sulfamic acid IUPAC Name: (3-hexyl-4-nitrophenyl)sulfamic acid Traditional Name: (3-hexyl-4-nitro-phenyl)sulfamic acid Formula: C12H18N2O5S MolecularWeight: 302.34672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=CC(=C1)NS(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=C(C=CC(=C1)NS(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C12H18N2O5S/c1-2-3-4-5-6-10-9-11(13-20(17,18)19)7-8-12(10)14(15)16/h7-9,13H,2-6H2,1H3,(H,17,18,19)