(phenylmethyl) 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate

Systemtic Name: (phenylmethyl) 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate Openeye Name: benzyl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate CAS Name: 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate Traditional Name: 2,5-bis[(2-nitrophenyl)sulfonyloxy]valeric acid benzyl ester Formula: C24H22N2O12S2 MolecularWeight: 594.56768

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(CCCOS(=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(CCCOS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-])OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C24H22N2O12S2/c27-24(36-17-18-9-2-1-3-10-18)21(38-40(34,35)23-15-7-5-12-20(23)26(30)31)13-8-16-37-39(32,33)22-14-6-4-11-19(22)25(28)29/h1-7,9-12,14-15,21H,8,13,16-17H2