(2-ethoxycarbonylphenyl)-octadecyl-propyl-sulfanium perchlorate

Systemtic Name: (2-ethoxycarbonylphenyl)-octadecyl-propyl-sulfanium perchlorate Openeye Name: (2-ethoxycarbonylphenyl)-octadecyl-propyl-sulfonium perchlorate CAS Name: (2-ethoxycarbonylphenyl)-octadecyl-propylsulfonium perchlorate IUPAC Name: (2-ethoxycarbonylphenyl)-octadecyl-propylsulfanium perchlorate Traditional Name: (2-carbethoxyphenyl)-propyl-stearyl-sulfonium perchlorate Formula: C30H53ClO6S MolecularWeight: 577.25622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC[S+](CCC)C1=CC=CC=C1C(=O)OCC.[O-]Cl(=O)(=O)=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC[S+](CCC)C1=CC=CC=C1C(=O)OCC.[O-]Cl(=O)(=O)=O

InChI

InChI=1S/C30H53O2S.ClHO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-27-33(26-5-2)29-25-22-21-24-28(29)30(31)32-6-3;2-1(3,4)5/h21-22,24-25H,4-20,23,26-27H2,1-3H3;(H,2,3,4,5)/q+1;/p-1