(E)-18-[(E)-17-carboxy-19-sulfanyl-nonadec-9-enyl]sulfanyl-2-(2-sulfanylethyl)octadec-9-enoic acid

Systemtic Name: (E)-18-[(E)-17-carboxy-19-sulfanyl-nonadec-9-enyl]sulfanyl-2-(2-sulfanylethyl)octadec-9-enoic acid Openeye Name: (E)-18-[(E)-17-carboxy-19-sulfanyl-nonadec-9-enyl]sulfanyl-2-(2-sulfanylethyl)octadec-9-enoic acid CAS Name: (E)-18-[[(E)-17-carboxy-19-mercaptononadec-9-enyl]thio]-2-(2-mercaptoethyl)-9-octadecenoic acid IUPAC Name: (E)-18-[(E)-17-carboxy-19-sulfanylnonadec-9-enyl]sulfanyl-2-(2-sulfanylethyl)octadec-9-enoic acid Traditional Name: (E)-18-[[(E)-17-carboxy-19-mercapto-nonadec-9-enyl]thio]-2-(2-mercaptoethyl)octadec-9-enoic acid Formula: C40H74O4S3 MolecularWeight: 715.20816

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Descriptors Computed from Structure

Canonical SMILES:

C(CCCCSCCCCCCCCC=CCCCCCCC(CCS)C(=O)O)CCCC=CCCCCCCC(CCS)C(=O)O

Isomeric SMILES

C(CCC/C=C/CCCCCCC(C(=O)O)CCS)CCCCSCCCCCCCC/C=C/CCCCCCC(C(=O)O)CCS

InChI

InChI=1S/C40H74O4S3/c41-39(42)37(31-33-45)29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-35-47-36-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-38(32-34-46)40(43)44/h1-2,5-6,37-38,45-46H,3-4,7-36H2,(H,41,42)(H,43,44)/b5-1+,6-2+