[(2R)-1-hexadecoxy-3-(oxan-2-yloxy)propan-2-yl] 4-nitrobenzenesulfonate

Systemtic Name: [(2R)-1-hexadecoxy-3-(oxan-2-yloxy)propan-2-yl] 4-nitrobenzenesulfonate Openeye Name: [(1R)-1-(hexadecoxymethyl)-2-tetrahydropyran-2-yloxy-ethyl] 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid [(2R)-1-hexadecoxy-3-(2-oxanyloxy)propan-2-yl] ester IUPAC Name: [(2R)-1-hexadecoxy-3-(oxan-2-yloxy)propan-2-yl] 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid [(1R)-1-(cetyloxymethyl)-2-tetrahydropyran-2-yloxy-ethyl] ester Formula: C30H51NO8S MolecularWeight: 585.79284

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COC1CCCCO1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC[C@H](COC1CCCCO1)OS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C30H51NO8S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-23-36-25-28(26-38-30-18-15-17-24-37-30)39-40(34,35)29-21-19-27(20-22-29)31(32)33/h19-22,28,30H,2-18,23-26H2,1H3/t28-,30?/m1/s1