propan-2-yl 4-azanyl-1-oxidanyl-cyclohexa-2,4-diene-1-sulfonate

Systemtic Name: propan-2-yl 4-azanyl-1-oxidanyl-cyclohexa-2,4-diene-1-sulfonate Openeye Name: isopropyl 4-amino-1-hydroxy-cyclohexa-2,4-diene-1-sulfonate CAS Name: 4-amino-1-hydroxy-1-cyclohexa-2,4-dienesulfonic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-amino-1-hydroxycyclohexa-2,4-diene-1-sulfonate Traditional Name: 4-amino-1-hydroxy-cyclohexa-2,4-diene-1-sulfonic acid isopropyl ester Formula: C9H15NO4S MolecularWeight: 233.2847

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OS(=O)(=O)C1(CC=C(C=C1)N)O

Isomeric SMILES

CC(C)OS(=O)(=O)C1(CC=C(C=C1)N)O

InChI

InChI=1S/C9H15NO4S/c1-7(2)14-15(12,13)9(11)5-3-8(10)4-6-9/h3-5,7,11H,6,10H2,1-2H3