2-ethyl-3-octyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-hexadecanoic acid

Systemtic Name: 2-ethyl-3-octyl-2-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfanyl-hexadecanoic acid Openeye Name: 2-(1-carboxypropylsulfanyl)-2-ethyl-3-octyl-hexadecanoic acid CAS Name: 2-ethyl-2-[(1-hydroxy-1-oxobutan-2-yl)thio]-3-octylhexadecanoic acid IUPAC Name: 2-ethyl-2-(1-hydroxy-1-oxobutan-2-yl)sulfanyl-3-octylhexadecanoic acid Traditional Name: 2-(1-carboxypropylthio)-2-ethyl-3-octyl-palmitic acid Formula: C30H58O4S MolecularWeight: 514.84412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H58O4S/c1-5-9-11-13-15-16-17-18-19-21-23-25-26(24-22-20-14-12-10-6-2)30(8-4,29(33)34)35-27(7-3)28(31)32/h26-27H,5-25H2,1-4H3,(H,31,32)(H,33,34)