[3-methyl-5-(3-oxidanylpropoxy)phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [3-methyl-5-(3-oxidanylpropoxy)phenyl] 2-nitrobenzenesulfonate Openeye Name: [3-(3-hydroxypropoxy)-5-methyl-phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [3-(3-hydroxypropoxy)-5-methylphenyl] ester IUPAC Name: [3-(3-hydroxypropoxy)-5-methylphenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [3-(3-hydroxypropoxy)-5-methyl-phenyl] ester Formula: C16H17NO7S MolecularWeight: 367.37368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCCCO

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OCCCO

InChI

InChI=1S/C16H17NO7S/c1-12-9-13(23-8-4-7-18)11-14(10-12)24-25(21,22)16-6-3-2-5-15(16)17(19)20/h2-3,5-6,9-11,18H,4,7-8H2,1H3