N-butyl-N-fluoranyl-butan-1-amine; 2,4,6-trimethylbenzenesulfonic acid

Systemtic Name: N-butyl-N-fluoranyl-butan-1-amine; 2,4,6-trimethylbenzenesulfonic acid Openeye Name: N-butyl-N-fluoro-butan-1-amine; 2,4,6-trimethylbenzenesulfonic acid CAS Name: N-butyl-N-fluoro-1-butanamine; 2,4,6-trimethylbenzenesulfonic acid IUPAC Name: N-butyl-N-fluorobutan-1-amine; 2,4,6-trimethylbenzenesulfonic acid Traditional Name: dibutyl(fluoro)amine; 2,4,6-trimethylbesylic acid Formula: C17H30FNO3S MolecularWeight: 347.488403

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CCCC)F.CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C

Isomeric SMILES

CCCCN(CCCC)F.CC1=CC(=C(C(=C1)C)S(=O)(=O)O)C

InChI

InChI=1S/C9H12O3S.C8H18FN/c1-6-4-7(2)9(8(3)5-6)13(10,11)12;1-3-5-7-10(9)8-6-4-2/h4-5H,1-3H3,(H,10,11,12);3-8H2,1-2H3