3-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]-2-butyl-12-(12-pentylsulfanyldodecylsulfanyl)dodecanoic acid

Systemtic Name: 3-[4,6-bis(oxidanylidene)-2-sulfanylidene-1,3-diazinan-1-yl]-2-butyl-12-(12-pentylsulfanyldodecylsulfanyl)dodecanoic acid Openeye Name: 2-butyl-3-(4,6-dioxo-2-thioxo-hexahydropyrimidin-1-yl)-12-(12-pentylsulfanyldodecylsulfanyl)dodecanoic acid CAS Name: 2-butyl-3-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)-12-[12-(pentylthio)dodecylthio]dodecanoic acid IUPAC Name: 2-butyl-3-(4,6-dioxo-2-sulfanylidene-1,3-diazinan-1-yl)-12-(12-pentylsulfanyldodecylsulfanyl)dodecanoic acid Traditional Name: 12-[12-(amylthio)dodecylthio]-2-butyl-3-(4,6-diketo-2-thioxo-hexahydropyrimidin-1-yl)lauric acid Formula: C37H68N2O4S3 MolecularWeight: 701.14182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSCCCCCCCCCCCCSCCCCCCCCCC(C(CCCC)C(=O)O)N1C(=O)CC(=O)NC1=S

Isomeric SMILES

CCCCCSCCCCCCCCCCCCSCCCCCCCCCC(C(CCCC)C(=O)O)N1C(=O)CC(=O)NC1=S

InChI

InChI=1S/C37H68N2O4S3/c1-3-5-21-27-45-28-22-17-13-9-7-8-10-14-18-23-29-46-30-24-19-15-11-12-16-20-26-33(32(36(42)43)25-6-4-2)39-35(41)31-34(40)38-37(39)44/h32-33H,3-31H2,1-2H3,(H,42,43)(H,38,40,44)