O4-(1H-benzimidazol-2-ylsulfanyl) O1-octyl butanedioate; tributylazanium

Systemtic Name: O4-(1H-benzimidazol-2-ylsulfanyl) O1-octyl butanedioate; tributylazanium Openeye Name: O4-(1H-benzimidazol-2-ylsulfanyl) O1-octyl butanedioate; tributylammonium CAS Name: butanedioic acid O4-(1H-benzimidazol-2-ylthio) ester O1-octyl ester; tributylammonium IUPAC Name: 4-O-(1H-benzimidazol-2-ylsulfanyl) 1-O-octyl butanedioate; tributylazanium Traditional Name: succinic acid O4-(1H-benzimidazol-2-ylthio) ester O1-octyl ester; tributylammonium Formula: C31H54N3O4S+ MolecularWeight: 564.84316

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCC(=O)OSC1=NC2=CC=CC=C2N1.CCCC[NH+](CCCC)CCCC

Isomeric SMILES

CCCCCCCCOC(=O)CCC(=O)OSC1=NC2=CC=CC=C2N1.CCCC[NH+](CCCC)CCCC

InChI

InChI=1S/C19H26N2O4S.C12H27N/c1-2-3-4-5-6-9-14-24-17(22)12-13-18(23)25-26-19-20-15-10-7-8-11-16(15)21-19;1-4-7-10-13(11-8-5-2)12-9-6-3/h7-8,10-11H,2-6,9,12-14H2,1H3,(H,20,21);4-12H2,1-3H3/p+1