4-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-3,5-dioctadecyl-heptanebis(thioic S-acid)

Systemtic Name: 4-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl]-3,5-dioctadecyl-heptanebis(thioic S-acid) Openeye Name: 4-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-3,5-dioctadecyl-heptanebis(thioic S-acid) CAS Name: 4-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-3,5-dioctadecylheptanebis(thioic S-acid) IUPAC Name: 4-[3-hydroxy-2,2-bis(hydroxymethyl)propyl]-3,5-dioctadecylheptanebis(thioic S-acid) Traditional Name: 4-(3-hydroxy-2,2-dimethylol-propyl)-3,5-distearyl-heptanebis(thioic S-acid) Formula: C48H94O5S2 MolecularWeight: 815.38696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(CC(=O)S)C(CC(CO)(CO)CO)C(CCCCCCCCCCCCCCCCCC)CC(=O)S

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(CC(=O)S)C(CC(CO)(CO)CO)C(CCCCCCCCCCCCCCCCCC)CC(=O)S

InChI

InChI=1S/C48H94O5S2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-43(37-46(52)54)45(39-48(40-49,41-50)42-51)44(38-47(53)55)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h43-45,49-51H,3-42H2,1-2H3,(H,52,54)(H,53,55)