4-methylbenzenesulfonate; [(2S)-octan-2-yl]azanium

Systemtic Name: 4-methylbenzenesulfonate; [(2S)-octan-2-yl]azanium Openeye Name: 4-methylbenzenesulfonate; [(1S)-1-methylheptyl]ammonium CAS Name: 4-methylbenzenesulfonate; [(2S)-octan-2-yl]ammonium IUPAC Name: 4-methylbenzenesulfonate; [(2S)-octan-2-yl]azanium Traditional Name: [(1S)-1-methylheptyl]ammonium tosylate Formula: C15H27NO3S MolecularWeight: 301.44478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)[NH3+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CCCCCC[C@H](C)[NH3+].CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C8H19N.C7H8O3S/c1-3-4-5-6-7-8(2)9;1-6-2-4-7(5-3-6)11(8,9)10/h8H,3-7,9H2,1-2H3;2-5H,1H3,(H,8,9,10)/t8-;/m0./s1