bis(2-ethylhexyl) decanedioate; 1-nitro-2-[1-[1-(2-nitrophenyl)octoxy]octyl]benzene

Systemtic Name: bis(2-ethylhexyl) decanedioate; 1-nitro-2-[1-[1-(2-nitrophenyl)octoxy]octyl]benzene Openeye Name: bis(2-ethylhexyl) decanedioate; 1-nitro-2-[1-[1-(2-nitrophenyl)octoxy]octyl]benzene CAS Name: decanedioic acid bis(2-ethylhexyl) ester; 1-nitro-2-[1-[1-(2-nitrophenyl)octoxy]octyl]benzene IUPAC Name: bis(2-ethylhexyl) decanedioate; 1-nitro-2-[1-[1-(2-nitrophenyl)octoxy]octyl]benzene Traditional Name: 1-nitro-2-[1-[1-(2-nitrophenyl)octoxy]octyl]benzene; sebacic acid bis(2-ethylhexyl) ester Formula: C54H90N2O9 MolecularWeight: 911.3004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(C1=CC=CC=C1[N+](=O)[O-])OC(CCCCCCC)C2=CC=CC=C2[N+](=O)[O-].CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC

Isomeric SMILES

CCCCCCCC(C1=CC=CC=C1[N+](=O)[O-])OC(CCCCCCC)C2=CC=CC=C2[N+](=O)[O-].CCCCC(CC)COC(=O)CCCCCCCCC(=O)OCC(CC)CCCC

InChI

InChI=1S/C28H40N2O5.C26H50O4/c1-3-5-7-9-11-21-27(23-17-13-15-19-25(23)29(31)32)35-28(22-12-10-8-6-4-2)24-18-14-16-20-26(24)30(33)34;1-5-9-17-23(7-3)21-29-25(27)19-15-13-11-12-14-16-20-26(28)30-22-24(8-4)18-10-6-2/h13-20,27-28H,3-12,21-22H2,1-2H3;23-24H,5-22H2,1-4H3