octadecyl 4-[(2-methylsulfanyl-2H-1,3-benzothiazol-3-yl)methyl]benzoate perchlorate

Systemtic Name: octadecyl 4-[(2-methylsulfanyl-2H-1,3-benzothiazol-3-yl)methyl]benzoate perchlorate Openeye Name: octadecyl 4-[(2-methylsulfanyl-2H-1,3-benzothiazol-3-yl)methyl]benzoate perchlorate CAS Name: 4-[[2-(methylthio)-2H-1,3-benzothiazol-3-yl]methyl]benzoic acid octadecyl ester perchlorate IUPAC Name: octadecyl 4-[(2-methylsulfanyl-2H-1,3-benzothiazol-3-yl)methyl]benzoate perchlorate Traditional Name: 4-[[2-(methylthio)-2H-1,3-benzothiazol-3-yl]methyl]benzoic acid stearyl ester perchlorate Formula: C34H51ClNO6S2- MolecularWeight: 669.35484

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)CN2C(SC3=CC=CC=C32)SC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(=O)C1=CC=C(C=C1)CN2C(SC3=CC=CC=C32)SC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C34H51NO2S2.ClHO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-27-37-33(36)30-25-23-29(24-26-30)28-35-31-21-18-19-22-32(31)39-34(35)38-2;2-1(3,4)5/h18-19,21-26,34H,3-17,20,27-28H2,1-2H3;(H,2,3,4,5)/p-1