5-azanyl-2-butyl-benzenesulfonic acid

Systemtic Name: 5-azanyl-2-butyl-benzenesulfonic acid Openeye Name: 5-amino-2-butyl-benzenesulfonic acid CAS Name: 5-amino-2-butylbenzenesulfonic acid IUPAC Name: 5-amino-2-butylbenzenesulfonic acid Traditional Name: 5-amino-2-butyl-besylic acid Formula: C10H15NO3S MolecularWeight: 229.296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C=C1)N)S(=O)(=O)O

Isomeric SMILES

CCCCC1=C(C=C(C=C1)N)S(=O)(=O)O

InChI

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