3-(12-carboxy-11,12-didecyl-docosan-11-yl)sulfanyl-2,2,3-tris-decyl-tridecanoic acid

Systemtic Name: 3-(12-carboxy-11,12-didecyl-docosan-11-yl)sulfanyl-2,2,3-tris-decyl-tridecanoic acid Openeye Name: 3-(2-carboxy-1,1,2-tris-decyl-dodecyl)sulfanyl-2,2,3-tris-decyl-tridecanoic acid CAS Name: 3-[(12-carboxy-11,12-didecyldocosan-11-yl)thio]-2,2,3-tris-decyltridecanoic acid IUPAC Name: 3-(12-carboxy-11,12-didecyldocosan-11-yl)sulfanyl-2,2,3-tris-decyltridecanoic acid Traditional Name: 3-[(2-carboxy-1,1,2-tris-decyl-dodecyl)thio]-2,2,3-tris-decyl-tridecanoic acid Formula: C86H170O4S MolecularWeight: 1300.3326

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCCCCCCCC)(C(=O)O)C(CCCCCCCCCC)(CCCCCCCCCC)SC(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(=O)O

Isomeric SMILES

CCCCCCCCCCC(CCCCCCCCCC)(C(=O)O)C(CCCCCCCCCC)(CCCCCCCCCC)SC(CCCCCCCCCC)(CCCCCCCCCC)C(CCCCCCCCCC)(CCCCCCCCCC)C(=O)O

InChI

InChI=1S/C86H170O4S/c1-9-17-25-33-41-49-57-65-73-83(81(87)88,74-66-58-50-42-34-26-18-10-2)85(77-69-61-53-45-37-29-21-13-5,78-70-62-54-46-38-30-22-14-6)91-86(79-71-63-55-47-39-31-23-15-7,80-72-64-56-48-40-32-24-16-8)84(82(89)90,75-67-59-51-43-35-27-19-11-3)76-68-60-52-44-36-28-20-12-4/h9-80H2,1-8H3,(H,87,88)(H,89,90)