2-(4-carboxydecan-4-ylsulfanyl)-2-propyl-nonanoic acid

Systemtic Name: 2-(4-carboxydecan-4-ylsulfanyl)-2-propyl-nonanoic acid Openeye Name: 2-(1-carboxy-1-propyl-heptyl)sulfanyl-2-propyl-nonanoic acid CAS Name: 2-(4-carboxydecan-4-ylthio)-2-propylnonanoic acid IUPAC Name: 2-(4-carboxydecan-4-ylsulfanyl)-2-propylnonanoic acid Traditional Name: 2-[(1-carboxy-1-propyl-heptyl)thio]-2-propyl-pelargonic acid Formula: C23H44O4S MolecularWeight: 416.65806

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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)