2-(3-carboxynonan-3-ylsulfanyl)-2-ethyl-octanoic acid

Systemtic Name: 2-(3-carboxynonan-3-ylsulfanyl)-2-ethyl-octanoic acid Openeye Name: 2-(1-carboxy-1-ethyl-heptyl)sulfanyl-2-ethyl-octanoic acid CAS Name: 2-(3-carboxynonan-3-ylthio)-2-ethyloctanoic acid IUPAC Name: 2-(3-carboxynonan-3-ylsulfanyl)-2-ethyloctanoic acid Traditional Name: 2-[(1-carboxy-1-ethyl-heptyl)thio]-2-ethyl-caprylic acid Formula: C20H38O4S MolecularWeight: 374.57832

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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)