4-(5-azanyl-3-methyl-hexan-3-yl)benzenesulfonic acid

Systemtic Name: 4-(5-azanyl-3-methyl-hexan-3-yl)benzenesulfonic acid Openeye Name: 4-(3-amino-1-ethyl-1-methyl-butyl)benzenesulfonic acid CAS Name: 4-(5-amino-3-methylhexan-3-yl)benzenesulfonic acid IUPAC Name: 4-(5-amino-3-methylhexan-3-yl)benzenesulfonic acid Traditional Name: 4-(3-amino-1-ethyl-1-methyl-butyl)besylic acid Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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