[2-(10-heptylsulfanyldecanoyloxy)-3-[(2-nitrophenyl)methoxy]propyl] 10-heptylsulfanyldecanoate

Systemtic Name: [2-(10-heptylsulfanyldecanoyloxy)-3-[(2-nitrophenyl)methoxy]propyl] 10-heptylsulfanyldecanoate Openeye Name: [2-(10-heptylsulfanyldecanoyloxy)-3-[(2-nitrophenyl)methoxy]propyl] 10-heptylsulfanyldecanoate CAS Name: 10-(heptylthio)decanoic acid [2-[10-(heptylthio)-1-oxodecoxy]-3-[(2-nitrophenyl)methoxy]propyl] ester IUPAC Name: [2-(10-heptylsulfanyldecanoyloxy)-3-[(2-nitrophenyl)methoxy]propyl] 10-heptylsulfanyldecanoate Traditional Name: 10-(heptylthio)capric acid [2-[10-(heptylthio)decanoyloxy]-3-(2-nitrobenzyl)oxy-propyl] ester Formula: C44H77NO7S2 MolecularWeight: 796.21468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCSCCCCCCCCCC(=O)OCC(COCC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCCCCCCCCSCCCCCCC

Isomeric SMILES

CCCCCCCSCCCCCCCCCC(=O)OCC(COCC1=CC=CC=C1[N+](=O)[O-])OC(=O)CCCCCCCCCSCCCCCCC

InChI

InChI=1S/C44H77NO7S2/c1-3-5-7-17-25-33-53-35-27-19-13-9-11-15-21-31-43(46)51-39-41(38-50-37-40-29-23-24-30-42(40)45(48)49)52-44(47)32-22-16-12-10-14-20-28-36-54-34-26-18-8-6-4-2/h23-24,29-30,41H,3-22,25-28,31-39H2,1-2H3