1-(2-dodecan-2-ylsulfanylethyl)azepane-2,7-dione

Systemtic Name: 1-(2-dodecan-2-ylsulfanylethyl)azepane-2,7-dione Openeye Name: 1-[2-(1-methylundecylsulfanyl)ethyl]azepane-2,7-dione CAS Name: 1-[2-(dodecan-2-ylthio)ethyl]azepane-2,7-dione IUPAC Name: 1-(2-dodecan-2-ylsulfanylethyl)azepane-2,7-dione Traditional Name: 1-[2-(1-methylundecylthio)ethyl]azepane-2,7-quinone Formula: C20H37NO2S MolecularWeight: 355.57828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C)SCCN1C(=O)CCCCC1=O

Isomeric SMILES

CCCCCCCCCCC(C)SCCN1C(=O)CCCCC1=O

InChI

InChI=1S/C20H37NO2S/c1-3-4-5-6-7-8-9-10-13-18(2)24-17-16-21-19(22)14-11-12-15-20(21)23/h18H,3-17H2,1-2H3