[3-(3-methylphenoxy)-3-oxidanyl-propyl] 2-nitrobenzenesulfonate

Systemtic Name: [3-(3-methylphenoxy)-3-oxidanyl-propyl] 2-nitrobenzenesulfonate Openeye Name: [3-hydroxy-3-(3-methylphenoxy)propyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [3-hydroxy-3-(3-methylphenoxy)propyl] ester IUPAC Name: [3-hydroxy-3-(3-methylphenoxy)propyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [3-hydroxy-3-(3-methylphenoxy)propyl] ester Formula: C16H17NO7S MolecularWeight: 367.37368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OC(CCOS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O

Isomeric SMILES

CC1=CC(=CC=C1)OC(CCOS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])O

InChI

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