4-azanyl-2,5-diethyl-benzenesulfonic acid

Systemtic Name: 4-azanyl-2,5-diethyl-benzenesulfonic acid Openeye Name: 4-amino-2,5-diethyl-benzenesulfonic acid CAS Name: 4-amino-2,5-diethylbenzenesulfonic acid IUPAC Name: 4-amino-2,5-diethylbenzenesulfonic acid Traditional Name: 4-amino-2,5-diethyl-besylic acid Formula: C10H15NO3S MolecularWeight: 229.296

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1S(=O)(=O)O)CC)N

Isomeric SMILES

CCC1=CC(=C(C=C1S(=O)(=O)O)CC)N

InChI

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