(5-methyl-2-propan-2-yl-phenyl) 6-chloranylpyridine-3-sulfonate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 6-chloranylpyridine-3-sulfonate Openeye Name: (2-isopropyl-5-methyl-phenyl) 6-chloropyridine-3-sulfonate CAS Name: 6-chloro-3-pyridinesulfonic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 6-chloropyridine-3-sulfonate Traditional Name: 6-chloropyridine-3-sulfonic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C15H16ClNO3S MolecularWeight: 325.81044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OS(=O)(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C15H16ClNO3S/c1-10(2)13-6-4-11(3)8-14(13)20-21(18,19)12-5-7-15(16)17-9-12/h4-10H,1-3H3