2-[(1S,2R)-1-(methoxymethoxy)-3-nitro-1-phenyl-3-phenylsulfanyl-propan-2-yl]isoindole-1,3-dione

Systemtic Name: 2-[(1S,2R)-1-(methoxymethoxy)-3-nitro-1-phenyl-3-phenylsulfanyl-propan-2-yl]isoindole-1,3-dione Openeye Name: 2-[(1R)-1-[(S)-methoxymethoxy(phenyl)methyl]-2-nitro-2-phenylsulfanyl-ethyl]isoindoline-1,3-dione CAS Name: 2-[(1S,2R)-1-(methoxymethoxy)-3-nitro-1-phenyl-3-(phenylthio)propan-2-yl]isoindole-1,3-dione IUPAC Name: 2-[(1S,2R)-1-(methoxymethoxy)-3-nitro-1-phenyl-3-phenylsulfanylpropan-2-yl]isoindole-1,3-dione Traditional Name: 2-[(1R)-1-[(S)-methoxymethoxy(phenyl)methyl]-2-nitro-2-(phenylthio)ethyl]isoindoline-1,3-quinone Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

COCOC(C1=CC=CC=C1)C(C([N+](=O)[O-])SC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COCO[C@@H](C1=CC=CC=C1)[C@H](C([N+](=O)[O-])SC2=CC=CC=C2)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C25H22N2O6S/c1-32-16-33-22(17-10-4-2-5-11-17)21(25(27(30)31)34-18-12-6-3-7-13-18)26-23(28)19-14-8-9-15-20(19)24(26)29/h2-15,21-22,25H,16H2,1H3/t21-,22+,25?/m1/s1