9-(1,3-benzothiazol-2-ylsulfanyl)-10-octyl-nonadecane-8,9,10-tricarboxylic acid

Systemtic Name: 9-(1,3-benzothiazol-2-ylsulfanyl)-10-octyl-nonadecane-8,9,10-tricarboxylic acid Openeye Name: 9-(1,3-benzothiazol-2-ylsulfanyl)-10-octyl-nonadecane-8,9,10-tricarboxylic acid CAS Name: 9-(1,3-benzothiazol-2-ylthio)-10-octylnonadecane-8,9,10-tricarboxylic acid IUPAC Name: 9-(1,3-benzothiazol-2-ylsulfanyl)-10-octylnonadecane-8,9,10-tricarboxylic acid Traditional Name: 9-(1,3-benzothiazol-2-ylthio)-10-octyl-nonadecane-8,9,10-tricarboxylic acid Formula: C37H59NO6S2 MolecularWeight: 677.99746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(C(=O)O)C(CCCCCCCC)(C(=O)O)C(CCCCCCCC)(C(=O)O)SC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCCCCCCC(C(=O)O)C(CCCCCCCC)(C(=O)O)C(CCCCCCCC)(C(=O)O)SC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C37H59NO6S2/c1-4-7-10-13-16-19-24-29(32(39)40)36(33(41)42,27-22-17-14-11-8-5-2)37(34(43)44,28-23-18-15-12-9-6-3)46-35-38-30-25-20-21-26-31(30)45-35/h20-21,25-26,29H,4-19,22-24,27-28H2,1-3H3,(H,39,40)(H,41,42)(H,43,44)