[(3S)-3-(2-ethoxyphenoxy)-2-methylsulfonyloxy-3-phenyl-propyl] 4-nitrobenzoate

Systemtic Name: [(3S)-3-(2-ethoxyphenoxy)-2-methylsulfonyloxy-3-phenyl-propyl] 4-nitrobenzoate Openeye Name: [(3S)-3-(2-ethoxyphenoxy)-2-methylsulfonyloxy-3-phenyl-propyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [(3S)-3-(2-ethoxyphenoxy)-2-methylsulfonyloxy-3-phenylpropyl] ester IUPAC Name: [(3S)-3-(2-ethoxyphenoxy)-2-methylsulfonyloxy-3-phenylpropyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [(3S)-3-(2-ethoxyphenoxy)-2-methylsulfonyloxy-3-phenyl-propyl] ester Formula: C25H25NO9S MolecularWeight: 515.5323

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OC(C2=CC=CC=C2)C(COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

Isomeric SMILES

CCOC1=CC=CC=C1O[C@@H](C2=CC=CC=C2)C(COC(=O)C3=CC=C(C=C3)[N+](=O)[O-])OS(=O)(=O)C

InChI

InChI=1S/C25H25NO9S/c1-3-32-21-11-7-8-12-22(21)34-24(18-9-5-4-6-10-18)23(35-36(2,30)31)17-33-25(27)19-13-15-20(16-14-19)26(28)29/h4-16,23-24H,3,17H2,1-2H3/t23?,24-/m0/s1