didecyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(hydroxymethyl)butanedioate

Systemtic Name: didecyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(hydroxymethyl)butanedioate Openeye Name: didecyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(hydroxymethyl)butanedioate CAS Name: 2-(1,3-benzothiazol-2-ylthio)-3-(hydroxymethyl)butanedioic acid didecyl ester IUPAC Name: didecyl 2-(1,3-benzothiazol-2-ylsulfanyl)-3-(hydroxymethyl)butanedioate Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-3-methylol-succinic acid didecyl ester Formula: C32H51NO5S2 MolecularWeight: 593.88104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC(=O)C(CO)C(C(=O)OCCCCCCCCCC)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCCCCOC(=O)C(CO)C(C(=O)OCCCCCCCCCC)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C32H51NO5S2/c1-3-5-7-9-11-13-15-19-23-37-30(35)26(25-34)29(40-32-33-27-21-17-18-22-28(27)39-32)31(36)38-24-20-16-14-12-10-8-6-4-2/h17-18,21-22,26,29,34H,3-16,19-20,23-25H2,1-2H3