[(2R)-2,3-dihexadecoxypropyl] 3-nitrobenzenesulfonate

Systemtic Name: [(2R)-2,3-dihexadecoxypropyl] 3-nitrobenzenesulfonate Openeye Name: [(2R)-2,3-dihexadecoxypropyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [(2R)-2,3-dihexadecoxypropyl] ester IUPAC Name: [(2R)-2,3-dihexadecoxypropyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [(2R)-2,3-dicetyloxypropyl] ester Formula: C41H75NO7S MolecularWeight: 726.1017

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])OCCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@H](COS(=O)(=O)C1=CC=CC(=C1)[N+](=O)[O-])OCCCCCCCCCCCCCCCC

InChI

InChI=1S/C41H75NO7S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34-47-37-40(38-49-50(45,46)41-33-31-32-39(36-41)42(43)44)48-35-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h31-33,36,40H,3-30,34-35,37-38H2,1-2H3/t40-/m1/s1