phenyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate

Systemtic Name: phenyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate Openeye Name: phenyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate CAS Name: 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoic acid phenyl ester IUPAC Name: phenyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate Traditional Name: 2,4-bis[(2-nitrophenyl)sulfonyloxy]butyric acid phenyl ester Formula: C22H18N2O12S2 MolecularWeight: 566.51452

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C(CCOS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C(CCOS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H18N2O12S2/c25-22(35-16-8-2-1-3-9-16)19(36-38(32,33)21-13-7-5-11-18(21)24(28)29)14-15-34-37(30,31)20-12-6-4-10-17(20)23(26)27/h1-13,19H,14-15H2