(E)-2-[(E)-octadec-9-enyl]-2-[(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylmethyl]icos-11-enoate

Systemtic Name: (E)-2-[(E)-octadec-9-enyl]-2-[(3-oxidanidyl-3-oxidanylidene-propyl)sulfanylmethyl]icos-11-enoate Openeye Name: (E)-2-[(E)-octadec-9-enyl]-2-[(3-oxido-3-oxo-propyl)sulfanylmethyl]icos-11-enoate CAS Name: (E)-2-[(E)-octadec-9-enyl]-2-[[(3-oxido-3-oxopropyl)thio]methyl]-11-eicosenoate IUPAC Name: (E)-2-[(E)-octadec-9-enyl]-2-[(3-oxido-3-oxopropyl)sulfanylmethyl]icos-11-enoate Traditional Name: (E)-2-[[(3-keto-3-oxido-propyl)thio]methyl]-2-[(E)-octadec-9-enyl]eicos-11-enoate Formula: C42H76O4S-2 MolecularWeight: 677.11544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(CCCCCCCCC=CCCCCCCCC)(CSCCC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(C(=O)[O-])(CSCCC(=O)[O-])CCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H78O4S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-42(41(45)46,39-47-38-35-40(43)44)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h17-20H,3-16,21-39H2,1-2H3,(H,43,44)(H,45,46)/p-2/b19-17+,20-18+