tert-butyl N-[1-methylsulfanyl-3-(1-sulfooxypropyl)hexadecan-2-yl]carbamate

Systemtic Name: tert-butyl N-[1-methylsulfanyl-3-(1-sulfooxypropyl)hexadecan-2-yl]carbamate Openeye Name: tert-butyl N-[1-(methylsulfanylmethyl)-2-(1-sulfooxypropyl)pentadecyl]carbamate CAS Name: N-[1-(methylthio)-3-(1-sulfooxypropyl)hexadecan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[1-methylsulfanyl-3-(1-sulfooxypropyl)hexadecan-2-yl]carbamate Traditional Name: N-[1-[(methylthio)methyl]-2-(1-sulfoxypropyl)pentadecyl]carbamic acid tert-butyl ester Formula: C25H51NO6S2 MolecularWeight: 525.80554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(C(CC)OS(=O)(=O)O)C(CSC)NC(=O)OC(C)(C)C

Isomeric SMILES

CCCCCCCCCCCCCC(C(CC)OS(=O)(=O)O)C(CSC)NC(=O)OC(C)(C)C

InChI

InChI=1S/C25H51NO6S2/c1-7-9-10-11-12-13-14-15-16-17-18-19-21(23(8-2)32-34(28,29)30)22(20-33-6)26-24(27)31-25(3,4)5/h21-23H,7-20H2,1-6H3,(H,26,27)(H,28,29,30)