2,2-bis(6-methylheptylsulfanyl)ethanoate

Systemtic Name: 2,2-bis(6-methylheptylsulfanyl)ethanoate Openeye Name: 2,2-bis(6-methylheptylsulfanyl)acetate CAS Name: 2,2-bis(6-methylheptylthio)acetate IUPAC Name: 2,2-bis(6-methylheptylsulfanyl)acetate Traditional Name: 2,2-bis(6-methylheptylthio)acetate Formula: C18H35O2S2- MolecularWeight: 347.5993

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCSC(C(=O)[O-])SCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCSC(C(=O)[O-])SCCCCCC(C)C

InChI

InChI=1S/C18H36O2S2/c1-15(2)11-7-5-9-13-21-18(17(19)20)22-14-10-6-8-12-16(3)4/h15-16,18H,5-14H2,1-4H3,(H,19,20)/p-1