5-hexylsulfanyl-2,8-dimethyl-nonanoate

Systemtic Name: 5-hexylsulfanyl-2,8-dimethyl-nonanoate Openeye Name: 5-hexylsulfanyl-2,8-dimethyl-nonanoate CAS Name: 5-(hexylthio)-2,8-dimethylnonanoate IUPAC Name: 5-hexylsulfanyl-2,8-dimethylnonanoate Traditional Name: 5-(hexylthio)-2,8-dimethyl-pelargonate Formula: C17H33O2S- MolecularWeight: 301.50772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC(CCC(C)C)CCC(C)C(=O)[O-]

Isomeric SMILES

CCCCCCSC(CCC(C)C)CCC(C)C(=O)[O-]

InChI

InChI=1S/C17H34O2S/c1-5-6-7-8-13-20-16(11-9-14(2)3)12-10-15(4)17(18)19/h14-16H,5-13H2,1-4H3,(H,18,19)/p-1