(3-methyl-5-oxidanyl-phenyl) 2-morpholin-2-ylsulfonylbenzenesulfonate

Systemtic Name: (3-methyl-5-oxidanyl-phenyl) 2-morpholin-2-ylsulfonylbenzenesulfonate Openeye Name: (3-hydroxy-5-methyl-phenyl) 2-morpholin-2-ylsulfonylbenzenesulfonate CAS Name: 2-(2-morpholinylsulfonyl)benzenesulfonic acid (3-hydroxy-5-methylphenyl) ester IUPAC Name: (3-hydroxy-5-methylphenyl) 2-morpholin-2-ylsulfonylbenzenesulfonate Traditional Name: 2-morpholin-2-ylsulfonylbenzenesulfonic acid (3-hydroxy-5-methyl-phenyl) ester Formula: C17H19NO7S2 MolecularWeight: 413.46526

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C3CNCCO3)O

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)C3CNCCO3)O

InChI

InChI=1S/C17H19NO7S2/c1-12-8-13(19)10-14(9-12)25-27(22,23)16-5-3-2-4-15(16)26(20,21)17-11-18-6-7-24-17/h2-5,8-10,17-19H,6-7,11H2,1H3