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

Systemtic Name: octyl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate Openeye Name: octyl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate CAS Name: 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoic acid octyl ester IUPAC Name: octyl 2,5-bis[(2-nitrophenyl)sulfonyloxy]pentanoate Traditional Name: 2,5-bis[(2-nitrophenyl)sulfonyloxy]valeric acid octyl ester Formula: C25H32N2O12S2 MolecularWeight: 616.65778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32N2O12S2/c1-2-3-4-5-6-11-18-37-25(28)22(39-41(35,36)24-17-10-8-14-21(24)27(31)32)15-12-19-38-40(33,34)23-16-9-7-13-20(23)26(29)30/h7-10,13-14,16-17,22H,2-6,11-12,15,18-19H2,1H3