[3-bromanyl-3-(2-nitrophenyl)sulfanyl-2-oxidanylidene-cyclohexyl] octadecanoate

Systemtic Name: [3-bromanyl-3-(2-nitrophenyl)sulfanyl-2-oxidanylidene-cyclohexyl] octadecanoate Openeye Name: [3-bromo-3-(2-nitrophenyl)sulfanyl-2-oxo-cyclohexyl] octadecanoate CAS Name: octadecanoic acid [3-bromo-3-[(2-nitrophenyl)thio]-2-oxocyclohexyl] ester IUPAC Name: [3-bromo-3-(2-nitrophenyl)sulfanyl-2-oxocyclohexyl] octadecanoate Traditional Name: stearic acid [3-bromo-2-keto-3-[(2-nitrophenyl)thio]cyclohexyl] ester Formula: C30H46BrNO5S MolecularWeight: 612.65894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OC1CCCC(C1=O)(SC2=CC=CC=C2[N+](=O)[O-])Br

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OC1CCCC(C1=O)(SC2=CC=CC=C2[N+](=O)[O-])Br

InChI

InChI=1S/C30H46BrNO5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-23-28(33)37-26-21-19-24-30(31,29(26)34)38-27-22-18-17-20-25(27)32(35)36/h17-18,20,22,26H,2-16,19,21,23-24H2,1H3