propan-2-yl sulfate; 2-propylpyridine-4-carboxylate

Systemtic Name: propan-2-yl sulfate; 2-propylpyridine-4-carboxylate Openeye Name: isopropyl sulfate; 2-propylpyridine-4-carboxylate CAS Name: propan-2-yl sulfate; 2-propyl-4-pyridinecarboxylate IUPAC Name: propan-2-yl sulfate; 2-propylpyridine-4-carboxylate Traditional Name: isopropyl sulfate; 2-propylisonicotinate Formula: C12H17NO6S-2 MolecularWeight: 303.33148

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC=CC(=C1)C(=O)[O-].CC(C)OS(=O)(=O)[O-]

Isomeric SMILES

CCCC1=NC=CC(=C1)C(=O)[O-].CC(C)OS(=O)(=O)[O-]

InChI

InChI=1S/C9H11NO2.C3H8O4S/c1-2-3-8-6-7(9(11)12)4-5-10-8;1-3(2)7-8(4,5)6/h4-6H,2-3H2,1H3,(H,11,12);3H,1-2H3,(H,4,5,6)/p-2