methyl 2-[(5-heptadecylsulfanyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(5-heptadecylsulfanyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5-heptadecylsulfanyl-2-thioxo-1,3-dithiol-4-yl)sulfanyl]acetate CAS Name: 2-[[5-(heptadecylthio)-2-sulfanylidene-1,3-dithiol-4-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-heptadecylsulfanyl-2-sulfanylidene-1,3-dithiol-4-yl)sulfanyl]acetate Traditional Name: 2-[[5-(heptadecylthio)-2-thioxo-1,3-dithiol-4-yl]thio]acetic acid methyl ester Formula: C23H40O2S5 MolecularWeight: 508.8875

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCSC1=C(SC(=S)S1)SCC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCSC1=C(SC(=S)S1)SCC(=O)OC

InChI

InChI=1S/C23H40O2S5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-21-22(30-23(26)29-21)28-19-20(24)25-2/h3-19H2,1-2H3