4-tert-butylbenzenesulfonate; pyridin-2-ylazanium

Systemtic Name: 4-tert-butylbenzenesulfonate; pyridin-2-ylazanium Openeye Name: 4-tert-butylbenzenesulfonate; 2-pyridylammonium CAS Name: 4-tert-butylbenzenesulfonate; 2-pyridinylammonium IUPAC Name: 4-tert-butylbenzenesulfonate; pyridin-2-ylazanium Traditional Name: 4-tert-butylbesylate; 2-pyridylammonium Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=NC(=C1)[NH3+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=NC(=C1)[NH3+]

InChI

InChI=1S/C10H14O3S.C5H6N2/c1-10(2,3)8-4-6-9(7-5-8)14(11,12)13;6-5-3-1-2-4-7-5/h4-7H,1-3H3,(H,11,12,13);1-4H,(H2,6,7)