2-(3-carboxylatononan-3-ylsulfanyl)-2-ethyl-octanoate

Systemtic Name: 2-(3-carboxylatononan-3-ylsulfanyl)-2-ethyl-octanoate Openeye Name: 2-(1-carboxylato-1-ethyl-heptyl)sulfanyl-2-ethyl-octanoate CAS Name: 2-(3-carboxylatononan-3-ylthio)-2-ethyloctanoate IUPAC Name: 2-(3-carboxylatononan-3-ylsulfanyl)-2-ethyloctanoate Traditional Name: 2-[(1-carboxylato-1-ethyl-heptyl)thio]-2-ethyl-caprylate Formula: C20H36O4S-2 MolecularWeight: 372.56244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(CC)(C(=O)[O-])SC(CC)(CCCCCC)C(=O)[O-]

Isomeric SMILES

CCCCCCC(CC)(C(=O)[O-])SC(CC)(CCCCCC)C(=O)[O-]

InChI

InChI=1S/C20H38O4S/c1-5-9-11-13-15-19(7-3,17(21)22)25-20(8-4,18(23)24)16-14-12-10-6-2/h5-16H2,1-4H3,(H,21,22)(H,23,24)/p-2