2-[2-[(4E)-4-hexadecylidene-2-oxidanyl-cyclohexyl]ethanoyloxysulfanyl]ethanoic acid

Systemtic Name: 2-[2-[(4E)-4-hexadecylidene-2-oxidanyl-cyclohexyl]ethanoyloxysulfanyl]ethanoic acid Openeye Name: 2-[2-[(4E)-4-hexadecylidene-2-hydroxy-cyclohexyl]acetyl]oxysulfanylacetic acid CAS Name: 2-[[2-[(4E)-4-hexadecylidene-2-hydroxycyclohexyl]-1-oxoethoxy]thio]acetic acid IUPAC Name: 2-[2-[(4E)-4-hexadecylidene-2-hydroxycyclohexyl]acetyl]oxysulfanylacetic acid Traditional Name: 2-[[2-[(4E)-4-hexadecylidene-2-hydroxy-cyclohexyl]acetyl]oxythio]acetic acid Formula: C26H46O5S MolecularWeight: 470.70544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC=C1CCC(C(C1)O)CC(=O)OSCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCC/C=C/1\CCC(C(C1)O)CC(=O)OSCC(=O)O

InChI

InChI=1S/C26H46O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-17-18-23(24(27)19-22)20-26(30)31-32-21-25(28)29/h16,23-24,27H,2-15,17-21H2,1H3,(H,28,29)/b22-16+