2-[[2-ethylhexyl-(3-methylphenyl)amino]methyl]benzenesulfonic acid

Systemtic Name: 2-[[2-ethylhexyl-(3-methylphenyl)amino]methyl]benzenesulfonic acid Openeye Name: 2-[[N-(2-ethylhexyl)-3-methyl-anilino]methyl]benzenesulfonic acid CAS Name: 2-[[N-(2-ethylhexyl)-3-methylanilino]methyl]benzenesulfonic acid IUPAC Name: 2-[[N-(2-ethylhexyl)-3-methylanilino]methyl]benzenesulfonic acid Traditional Name: 2-[[N-(2-ethylhexyl)-3-methyl-anilino]methyl]besylic acid Formula: C22H31NO3S MolecularWeight: 389.55144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN(CC1=CC=CC=C1S(=O)(=O)O)C2=CC=CC(=C2)C

Isomeric SMILES

CCCCC(CC)CN(CC1=CC=CC=C1S(=O)(=O)O)C2=CC=CC(=C2)C

InChI

InChI=1S/C22H31NO3S/c1-4-6-11-19(5-2)16-23(21-13-9-10-18(3)15-21)17-20-12-7-8-14-22(20)27(24,25)26/h7-10,12-15,19H,4-6,11,16-17H2,1-3H3,(H,24,25,26)