pyridin-3-yl 3-oxidanyl-4-pentyl-benzenesulfonate

Systemtic Name: pyridin-3-yl 3-oxidanyl-4-pentyl-benzenesulfonate Openeye Name: 3-pyridyl 3-hydroxy-4-pentyl-benzenesulfonate CAS Name: 3-hydroxy-4-pentylbenzenesulfonic acid 3-pyridinyl ester IUPAC Name: pyridin-3-yl 3-hydroxy-4-pentylbenzenesulfonate Traditional Name: 4-amyl-3-hydroxy-benzenesulfonic acid 3-pyridyl ester Formula: C16H19NO4S MolecularWeight: 321.39136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C=C(C=C1)S(=O)(=O)OC2=CN=CC=C2)O

Isomeric SMILES

CCCCCC1=C(C=C(C=C1)S(=O)(=O)OC2=CN=CC=C2)O

InChI

InChI=1S/C16H19NO4S/c1-2-3-4-6-13-8-9-15(11-16(13)18)22(19,20)21-14-7-5-10-17-12-14/h5,7-12,18H,2-4,6H2,1H3