1-[2-ethylhexyl-(3-methylphenyl)amino]ethanesulfonic acid

Systemtic Name: 1-[2-ethylhexyl-(3-methylphenyl)amino]ethanesulfonic acid Openeye Name: 1-[N-(2-ethylhexyl)-3-methyl-anilino]ethanesulfonic acid CAS Name: 1-[N-(2-ethylhexyl)-3-methylanilino]ethanesulfonic acid IUPAC Name: 1-[N-(2-ethylhexyl)-3-methylanilino]ethanesulfonic acid Traditional Name: 1-[N-(2-ethylhexyl)-3-methyl-anilino]ethanesulfonic acid Formula: C17H29NO3S MolecularWeight: 327.48206

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN(C1=CC=CC(=C1)C)C(C)S(=O)(=O)O

Isomeric SMILES

CCCCC(CC)CN(C1=CC=CC(=C1)C)C(C)S(=O)(=O)O

InChI

InChI=1S/C17H29NO3S/c1-5-7-10-16(6-2)13-18(15(4)22(19,20)21)17-11-8-9-14(3)12-17/h8-9,11-12,15-16H,5-7,10,13H2,1-4H3,(H,19,20,21)