methanesulfonic acid; 3-(methylsulfanylmethyl)-4-octoxy-aniline

Systemtic Name: methanesulfonic acid; 3-(methylsulfanylmethyl)-4-octoxy-aniline Openeye Name: methanesulfonic acid; 3-(methylsulfanylmethyl)-4-octoxy-aniline CAS Name: methanesulfonic acid; 3-[(methylthio)methyl]-4-octoxyaniline IUPAC Name: methanesulfonic acid; 3-(methylsulfanylmethyl)-4-octoxyaniline Traditional Name: mesylic acid; [3-[(methylthio)methyl]-4-octoxy-phenyl]amine Formula: C17H31NO4S2 MolecularWeight: 377.56234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)N)CSC.CS(=O)(=O)O

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)N)CSC.CS(=O)(=O)O

InChI

InChI=1S/C16H27NOS.CH4O3S/c1-3-4-5-6-7-8-11-18-16-10-9-15(17)12-14(16)13-19-2;1-5(2,3)4/h9-10,12H,3-8,11,13,17H2,1-2H3;1H3,(H,2,3,4)