2-(4-carboxylatodecan-4-ylsulfanyl)-2-propyl-nonanoate

Systemtic Name: 2-(4-carboxylatodecan-4-ylsulfanyl)-2-propyl-nonanoate Openeye Name: 2-(1-carboxylato-1-propyl-heptyl)sulfanyl-2-propyl-nonanoate CAS Name: 2-(4-carboxylatodecan-4-ylthio)-2-propylnonanoate IUPAC Name: 2-(4-carboxylatodecan-4-ylsulfanyl)-2-propylnonanoate Traditional Name: 2-[(1-carboxylato-1-propyl-heptyl)thio]-2-propyl-pelargonate Formula: C23H42O4S-2 MolecularWeight: 414.64218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(CCC)(C(=O)[O-])SC(CCC)(CCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCCC(CCC)(C(=O)[O-])SC(CCC)(CCCCCC)C(=O)[O-]

InChI

InChI=1S/C23H44O4S/c1-5-9-11-13-15-19-23(17-8-4,21(26)27)28-22(16-7-3,20(24)25)18-14-12-10-6-2/h5-19H2,1-4H3,(H,24,25)(H,26,27)/p-2