3-(2-azanyl-6-methyl-phenyl)hexane-3-sulfonic acid

Systemtic Name: 3-(2-azanyl-6-methyl-phenyl)hexane-3-sulfonic acid Openeye Name: 3-(2-amino-6-methyl-phenyl)hexane-3-sulfonic acid CAS Name: 3-(2-amino-6-methylphenyl)-3-hexanesulfonic acid IUPAC Name: 3-(2-amino-6-methylphenyl)hexane-3-sulfonic acid Traditional Name: 3-(2-amino-6-methyl-phenyl)hexane-3-sulfonic acid Formula: C13H21NO3S MolecularWeight: 271.37574

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC)(C1=C(C=CC=C1N)C)S(=O)(=O)O

Isomeric SMILES

CCCC(CC)(C1=C(C=CC=C1N)C)S(=O)(=O)O

InChI

InChI=1S/C13H21NO3S/c1-4-9-13(5-2,18(15,16)17)12-10(3)7-6-8-11(12)14/h6-8H,4-5,9,14H2,1-3H3,(H,15,16,17)