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

Systemtic Name: 3-(ethylsulfanylmethyl)-4-octoxy-aniline; methanesulfonic acid Openeye Name: 3-(ethylsulfanylmethyl)-4-octoxy-aniline; methanesulfonic acid CAS Name: 3-[(ethylthio)methyl]-4-octoxyaniline; methanesulfonic acid IUPAC Name: 3-(ethylsulfanylmethyl)-4-octoxyaniline; methanesulfonic acid Traditional Name: [3-[(ethylthio)methyl]-4-octoxy-phenyl]amine; mesylic acid Formula: C18H33NO4S2 MolecularWeight: 391.58892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H29NOS.CH4O3S/c1-3-5-6-7-8-9-12-19-17-11-10-16(18)13-15(17)14-20-4-2;1-5(2,3)4/h10-11,13H,3-9,12,14,18H2,1-2H3;1H3,(H,2,3,4)