trioctyl 1-(1,3-benzothiazol-2-ylsulfanyl)propane-1,2,3-tricarboxylate

Systemtic Name: trioctyl 1-(1,3-benzothiazol-2-ylsulfanyl)propane-1,2,3-tricarboxylate Openeye Name: trioctyl 1-(1,3-benzothiazol-2-ylsulfanyl)propane-1,2,3-tricarboxylate CAS Name: 1-(1,3-benzothiazol-2-ylthio)propane-1,2,3-tricarboxylic acid trioctyl ester IUPAC Name: trioctyl 1-(1,3-benzothiazol-2-ylsulfanyl)propane-1,2,3-tricarboxylate Traditional Name: 1-(1,3-benzothiazol-2-ylthio)propane-1,2,3-tricarboxylic acid trioctyl ester Formula: C37H59NO6S2 MolecularWeight: 677.99746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CC(C(C(=O)OCCCCCCCC)SC1=NC2=CC=CC=C2S1)C(=O)OCCCCCCCC

Isomeric SMILES

CCCCCCCCOC(=O)CC(C(C(=O)OCCCCCCCC)SC1=NC2=CC=CC=C2S1)C(=O)OCCCCCCCC

InChI

InChI=1S/C37H59NO6S2/c1-4-7-10-13-16-21-26-42-33(39)29-30(35(40)43-27-22-17-14-11-8-5-2)34(36(41)44-28-23-18-15-12-9-6-3)46-37-38-31-24-19-20-25-32(31)45-37/h19-20,24-25,30,34H,4-18,21-23,26-29H2,1-3H3