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

Systemtic Name: (phenylmethyl) 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate Openeye Name: benzyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate CAS Name: 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2,4-bis[(2-nitrophenyl)sulfonyloxy]butanoate Traditional Name: 2,4-bis[(2-nitrophenyl)sulfonyloxy]butyric acid benzyl ester Formula: C23H20N2O12S2 MolecularWeight: 580.5411

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=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)COC(=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/C23H20N2O12S2/c26-23(35-16-17-8-2-1-3-9-17)20(37-39(33,34)22-13-7-5-11-19(22)25(29)30)14-15-36-38(31,32)21-12-6-4-10-18(21)24(27)28/h1-13,20H,14-16H2