2-[17-(disulfanyl)-17-pyridin-2-yl-heptadecan-5-yl]cyclononane-1,3-dione

Systemtic Name: 2-[17-(disulfanyl)-17-pyridin-2-yl-heptadecan-5-yl]cyclononane-1,3-dione Openeye Name: 2-[1-butyl-13-(disulfanyl)-13-(2-pyridyl)tridecyl]cyclononane-1,3-dione CAS Name: 2-[17-(disulfanyl)-17-(2-pyridinyl)heptadecan-5-yl]cyclononane-1,3-dione IUPAC Name: 2-[17-(disulfanyl)-17-pyridin-2-ylheptadecan-5-yl]cyclononane-1,3-dione Traditional Name: 2-[1-butyl-13-(disulfanyl)-13-(2-pyridyl)tridecyl]cyclononane-1,3-quinone Formula: C31H51NO2S2 MolecularWeight: 533.87214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CCCCCCCCCCCC(C1=CC=CC=N1)SS)C2C(=O)CCCCCCC2=O

Isomeric SMILES

CCCCC(CCCCCCCCCCCC(C1=CC=CC=N1)SS)C2C(=O)CCCCCCC2=O

InChI

InChI=1S/C31H51NO2S2/c1-2-3-19-26(31-28(33)22-14-11-12-15-23-29(31)34)20-13-9-7-5-4-6-8-10-16-24-30(36-35)27-21-17-18-25-32-27/h17-18,21,25-26,30-31,35H,2-16,19-20,22-24H2,1H3