3-azanyl-2,6-diethyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-2,6-diethyl-benzenesulfonic acid Openeye Name: 3-amino-2,6-diethyl-benzenesulfonic acid CAS Name: 3-amino-2,6-diethylbenzenesulfonic acid IUPAC Name: 3-amino-2,6-diethylbenzenesulfonic acid Traditional Name: 3-amino-2,6-diethyl-besylic acid Formula: C10H15NO3S MolecularWeight: 229.296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)N)CC)S(=O)(=O)O

Isomeric SMILES

CCC1=C(C(=C(C=C1)N)CC)S(=O)(=O)O

InChI

InChI=1S/C10H15NO3S/c1-3-7-5-6-9(11)8(4-2)10(7)15(12,13)14/h5-6H,3-4,11H2,1-2H3,(H,12,13,14)