(E)-2-(2-carboxyethylsulfanylmethyl)-2-[(E)-octadec-9-enyl]icos-11-enoic acid

Systemtic Name: (E)-2-(2-carboxyethylsulfanylmethyl)-2-[(E)-octadec-9-enyl]icos-11-enoic acid Openeye Name: (E)-2-(2-carboxyethylsulfanylmethyl)-2-[(E)-octadec-9-enyl]icos-11-enoic acid CAS Name: (E)-2-[(2-carboxyethylthio)methyl]-2-[(E)-octadec-9-enyl]-11-eicosenoic acid IUPAC Name: (E)-2-(2-carboxyethylsulfanylmethyl)-2-[(E)-octadec-9-enyl]icos-11-enoic acid Traditional Name: (E)-2-[(2-carboxyethylthio)methyl]-2-[(E)-octadec-9-enyl]eicos-11-enoic acid Formula: C42H78O4S MolecularWeight: 679.13132

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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)/b19-17+,20-18+