methanesulfonic acid; 3-methyl-4-octoxy-aniline

Systemtic Name: methanesulfonic acid; 3-methyl-4-octoxy-aniline Openeye Name: methanesulfonic acid; 3-methyl-4-octoxy-aniline CAS Name: methanesulfonic acid; 3-methyl-4-octoxyaniline IUPAC Name: methanesulfonic acid; 3-methyl-4-octoxyaniline Traditional Name: mesylic acid; (3-methyl-4-octoxy-phenyl)amine Formula: C16H29NO4S MolecularWeight: 331.47076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H25NO.CH4O3S/c1-3-4-5-6-7-8-11-17-15-10-9-14(16)12-13(15)2;1-5(2,3)4/h9-10,12H,3-8,11,16H2,1-2H3;1H3,(H,2,3,4)