O-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 2,2,3-tri(dodecan-3-yl)-4-ethyl-tridecanethioate

Systemtic Name: O-[2,2-bis(hydroxymethyl)-3-oxidanyl-propyl] 2,2,3-tri(dodecan-3-yl)-4-ethyl-tridecanethioate Openeye Name: O-[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 4-ethyl-2,2,3-tris(1-ethyldecyl)tridecanethioate CAS Name: 2,2,3-tri(dodecan-3-yl)-4-ethyltridecanethioic acid O-[3-hydroxy-2,2-bis(hydroxymethyl)propyl] ester IUPAC Name: O-[3-hydroxy-2,2-bis(hydroxymethyl)propyl] 2,2,3-tri(dodecan-3-yl)-4-ethyltridecanethioate Traditional Name: 4-ethyl-2,2,3-tris(1-ethyldecyl)tridecanethioic acid O-(3-hydroxy-2,2-dimethylol-propyl) ester Formula: C56H112O4S MolecularWeight: 881.55108

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CC)C(C(CC)CCCCCCCCC)C(C(CC)CCCCCCCCC)(C(CC)CCCCCCCCC)C(=S)OCC(CO)(CO)CO

Isomeric SMILES

CCCCCCCCCC(CC)C(C(CC)CCCCCCCCC)C(C(CC)CCCCCCCCC)(C(CC)CCCCCCCCC)C(=S)OCC(CO)(CO)CO

InChI

InChI=1S/C56H112O4S/c1-9-17-21-25-29-33-37-41-49(13-5)53(50(14-6)42-38-34-30-26-22-18-10-2)56(54(61)60-48-55(45-57,46-58)47-59,51(15-7)43-39-35-31-27-23-19-11-3)52(16-8)44-40-36-32-28-24-20-12-4/h49-53,57-59H,9-48H2,1-8H3