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

Systemtic Name: phenyl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate Openeye Name: phenyl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate CAS Name: 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoic acid phenyl ester IUPAC Name: phenyl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate Traditional Name: 2,5-bis[(2-nitrophenyl)sulfonyloxy]valeric acid phenyl ester Formula: C23H20N2O12S2 MolecularWeight: 580.5411

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Descriptors Computed from Structure

Canonical SMILES:

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