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2-(3-carboxyheptadecan-3-ylsulfanyl)-2-ethyl-hexadecanoic acid

2-(3-carboxyheptadecan-3-ylsulfanyl)-2-ethyl-hexadecanoic acid

Systemtic Name:2-(3-carboxyheptadecan-3-ylsulfanyl)-2-ethyl-hexadecanoic acid
Openeye Name:2-(1-carboxy-1-ethyl-pentadecyl)sulfanyl-2-ethyl-hexadecanoic acid
CAS Name:2-(3-carboxyheptadecan-3-ylthio)-2-ethylhexadecanoic acid
IUPAC Name:2-(3-carboxyheptadecan-3-ylsulfanyl)-2-ethylhexadecanoic acid
Traditional Name:2-[(1-carboxy-1-ethyl-pentadecyl)thio]-2-ethyl-palmitic acid
Formula: C36H70O4S
MolecularWeight: 599.0036
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(CC)(C(=O)O)SC(CC)(CCCCCCCCCCCCCC)C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCC(CC)(C(=O)O)SC(CC)(CCCCCCCCCCCCCC)C(=O)O


InChI

InChI=1S/C36H70O4S/c1-5-9-11-13-15-17-19-21-23-25-27-29-31-35(7-3,33(37)38)41-36(8-4,34(39)40)32-30-28-26-24-22-20-18-16-14-12-10-6-2/h5-32H2,1-4H3,(H,37,38)(H,39,40)


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