octyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate

Systemtic Name: octyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate Openeye Name: octyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate CAS Name: 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoic acid octyl ester IUPAC Name: octyl 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoate Traditional Name: 2,6-bis[(2-nitrophenyl)sulfonyloxy]hexanoic acid octyl ester Formula: C26H34N2O12S2 MolecularWeight: 630.68436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O12S2/c1-2-3-4-5-6-12-19-38-26(29)23(40-42(36,37)25-18-10-8-15-22(25)28(32)33)16-11-13-20-39-41(34,35)24-17-9-7-14-21(24)27(30)31/h7-10,14-15,17-18,23H,2-6,11-13,16,19-20H2,1H3