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

Systemtic Name: (E)-18-[(E)-17-carboxy-19-sulfanyl-17-(2-sulfanylethyl)nonadec-9-enyl]sulfanyl-2,2-bis(2-sulfanylethyl)octadec-9-enoic acid Openeye Name: (E)-18-[(E)-17-carboxy-19-sulfanyl-17-(2-sulfanylethyl)nonadec-9-enyl]sulfanyl-2,2-bis(2-sulfanylethyl)octadec-9-enoic acid CAS Name: (E)-18-[[(E)-17-carboxy-19-mercapto-17-(2-mercaptoethyl)nonadec-9-enyl]thio]-2,2-bis(2-mercaptoethyl)-9-octadecenoic acid IUPAC Name: (E)-18-[(E)-17-carboxy-19-sulfanyl-17-(2-sulfanylethyl)nonadec-9-enyl]sulfanyl-2,2-bis(2-sulfanylethyl)octadec-9-enoic acid Traditional Name: (E)-18-[[(E)-17-carboxy-19-mercapto-17-(2-mercaptoethyl)nonadec-9-enyl]thio]-2,2-bis(2-mercaptoethyl)octadec-9-enoic acid Formula: C44H82O4S5 MolecularWeight: 835.44448

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C44H82O4S5/c45-41(46)43(31-35-49,32-36-50)29-25-21-17-13-9-5-1-3-7-11-15-19-23-27-39-53-40-28-24-20-16-12-8-4-2-6-10-14-18-22-26-30-44(33-37-51,34-38-52)42(47)48/h1-2,5-6,49-52H,3-4,7-40H2,(H,45,46)(H,47,48)/b5-1+,6-2+