3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonic acid

Systemtic Name: 3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonic acid Openeye Name: 3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonic acid CAS Name: 3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonic acid IUPAC Name: 3-[(2,4,6-trimethylphenyl)methylamino]benzenesulfonic acid Traditional Name: 3-[(2,4,6-trimethylbenzyl)amino]besylic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)CNC2=CC(=CC=C2)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)CNC2=CC(=CC=C2)S(=O)(=O)O)C

InChI

InChI=1S/C16H19NO3S/c1-11-7-12(2)16(13(3)8-11)10-17-14-5-4-6-15(9-14)21(18,19)20/h4-9,17H,10H2,1-3H3,(H,18,19,20)