didodecyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)butanedioate

Systemtic Name: didodecyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)butanedioate Openeye Name: didodecyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)butanedioate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]butanedioic acid didodecyl ester IUPAC Name: didodecyl 2-(1,3-benzothiazol-2-ylsulfanylmethyl)butanedioate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]succinic acid dilauryl ester Formula: C36H59NO4S2 MolecularWeight: 633.98796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)CC(CSC1=NC2=CC=CC=C2S1)C(=O)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(=O)CC(CSC1=NC2=CC=CC=C2S1)C(=O)OCCCCCCCCCCCC

InChI

InChI=1S/C36H59NO4S2/c1-3-5-7-9-11-13-15-17-19-23-27-40-34(38)29-31(30-42-36-37-32-25-21-22-26-33(32)43-36)35(39)41-28-24-20-18-16-14-12-10-8-6-4-2/h21-22,25-26,31H,3-20,23-24,27-30H2,1-2H3