methyl 2-[2,6-bis(oxidanylidene)cyclohexylidene]-5-hexadecylsulfanyl-1,3-dithiole-4-carboxylate

Systemtic Name: methyl 2-[2,6-bis(oxidanylidene)cyclohexylidene]-5-hexadecylsulfanyl-1,3-dithiole-4-carboxylate Openeye Name: methyl 2-(2,6-dioxocyclohexylidene)-5-hexadecylsulfanyl-1,3-dithiole-4-carboxylate CAS Name: 2-(2,6-dioxocyclohexylidene)-5-(hexadecylthio)-1,3-dithiole-4-carboxylic acid methyl ester IUPAC Name: methyl 2-(2,6-dioxocyclohexylidene)-5-hexadecylsulfanyl-1,3-dithiole-4-carboxylate Traditional Name: 5-(cetylthio)-2-(2,6-diketocyclohexylidene)-1,3-dithiole-4-carboxylic acid methyl ester Formula: C27H42O4S3 MolecularWeight: 526.81498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=C(SC(=C2C(=O)CCCC2=O)S1)C(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=C(SC(=C2C(=O)CCCC2=O)S1)C(=O)OC

InChI

InChI=1S/C27H42O4S3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-32-27-24(25(30)31-2)33-26(34-27)23-21(28)18-17-19-22(23)29/h3-20H2,1-2H3