5-hexadecoxy-3-[1-hexadecoxy-2,5-bis(oxidanyl)pentan-3-yl]sulfanyl-pentane-1,4-diol

Systemtic Name: 5-hexadecoxy-3-[1-hexadecoxy-2,5-bis(oxidanyl)pentan-3-yl]sulfanyl-pentane-1,4-diol Openeye Name: 5-hexadecoxy-3-[3-hexadecoxy-2-hydroxy-1-(2-hydroxyethyl)propyl]sulfanyl-pentane-1,4-diol CAS Name: 5-hexadecoxy-3-[(1-hexadecoxy-2,5-dihydroxypentan-3-yl)thio]pentane-1,4-diol IUPAC Name: 5-hexadecoxy-3-(1-hexadecoxy-2,5-dihydroxypentan-3-yl)sulfanylpentane-1,4-diol Traditional Name: 5-cetyloxy-3-[[3-cetyloxy-2-hydroxy-1-(2-hydroxyethyl)propyl]thio]pentane-1,4-diol Formula: C42H86O6S MolecularWeight: 719.19364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C(CCO)SC(CCO)C(COCCCCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C(CCO)SC(CCO)C(COCCCCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C42H86O6S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35-47-37-39(45)41(31-33-43)49-42(32-34-44)40(46)38-48-36-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h39-46H,3-38H2,1-2H3