bis[1-methyl-5-nonyl-2-(phenylmethyl)pyrrolidin-3-yl] sulfite

Systemtic Name: bis[1-methyl-5-nonyl-2-(phenylmethyl)pyrrolidin-3-yl] sulfite Openeye Name: bis(2-benzyl-1-methyl-5-nonyl-pyrrolidin-3-yl) sulfite CAS Name: sulfurous acid bis[1-methyl-5-nonyl-2-(phenylmethyl)-3-pyrrolidinyl] ester IUPAC Name: bis(2-benzyl-1-methyl-5-nonylpyrrolidin-3-yl) sulfite Traditional Name: sulfurous acid bis(2-benzyl-1-methyl-5-nonyl-pyrrolidin-3-yl) ester Formula: C42H68N2O3S MolecularWeight: 681.06592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1CC(C(N1C)CC2=CC=CC=C2)OS(=O)OC3CC(N(C3CC4=CC=CC=C4)C)CCCCCCCCC

Isomeric SMILES

CCCCCCCCCC1CC(C(N1C)CC2=CC=CC=C2)OS(=O)OC3CC(N(C3CC4=CC=CC=C4)C)CCCCCCCCC

InChI

InChI=1S/C42H68N2O3S/c1-5-7-9-11-13-15-23-29-37-33-41(39(43(37)3)31-35-25-19-17-20-26-35)46-48(45)47-42-34-38(30-24-16-14-12-10-8-6-2)44(4)40(42)32-36-27-21-18-22-28-36/h17-22,25-28,37-42H,5-16,23-24,29-34H2,1-4H3