2,3-bis(oxidanyl)propyl 2,2,3-tris[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoate

Systemtic Name: 2,3-bis(oxidanyl)propyl 2,2,3-tris[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoate Openeye Name: 2,3-dihydroxypropyl 2,2,3-tris[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoate CAS Name: 2,2,3-tris[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 2,2,3-tris[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]pentanoate Traditional Name: 2,2,3-tris[4-(5-pentadecyl-1,3,4-thiadiazol-2-yl)phenoxy]valeric acid glyceryl ester Formula: C77H118N6O7S3 MolecularWeight: 1335.99182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(CC)C(C(=O)OCC(CO)O)(OC3=CC=C(C=C3)C4=NN=C(S4)CCCCCCCCCCCCCCC)OC5=CC=C(C=C5)C6=NN=C(S6)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=NN=C(S1)C2=CC=C(C=C2)OC(CC)C(C(=O)OCC(CO)O)(OC3=CC=C(C=C3)C4=NN=C(S4)CCCCCCCCCCCCCCC)OC5=CC=C(C=C5)C6=NN=C(S6)CCCCCCCCCCCCCCC

InChI

InChI=1S/C77H118N6O7S3/c1-5-9-12-15-18-21-24-27-30-33-36-39-42-45-70-78-81-73(91-70)62-48-54-66(55-49-62)88-69(8-4)77(76(86)87-61-65(85)60-84,89-67-56-50-63(51-57-67)74-82-79-71(92-74)46-43-40-37-34-31-28-25-22-19-16-13-10-6-2)90-68-58-52-64(53-59-68)75-83-80-72(93-75)47-44-41-38-35-32-29-26-23-20-17-14-11-7-3/h48-59,65,69,84-85H,5-47,60-61H2,1-4H3