4-(4-azanyl-2-methyl-hexan-2-yl)benzenesulfonic acid

Systemtic Name: 4-(4-azanyl-2-methyl-hexan-2-yl)benzenesulfonic acid Openeye Name: 4-(3-amino-1,1-dimethyl-pentyl)benzenesulfonic acid CAS Name: 4-(4-amino-2-methylhexan-2-yl)benzenesulfonic acid IUPAC Name: 4-(4-amino-2-methylhexan-2-yl)benzenesulfonic acid Traditional Name: 4-(3-amino-1,1-dimethyl-pentyl)besylic acid Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O)N

Isomeric SMILES

CCC(CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)O)N

InChI

InChI=1S/C13H21NO3S/c1-4-11(14)9-13(2,3)10-5-7-12(8-6-10)18(15,16)17/h5-8,11H,4,9,14H2,1-3H3,(H,15,16,17)