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methyl(trioctyl)azanium; 2-sulfanylbenzoate

methyl(trioctyl)azanium; 2-sulfanylbenzoate

Systemtic Name:methyl(trioctyl)azanium; 2-sulfanylbenzoate
Openeye Name:methyl(trioctyl)ammonium; 2-sulfanylbenzoate
CAS Name:2-mercaptobenzoate; methyl(trioctyl)ammonium
IUPAC Name:methyl(trioctyl)azanium; 2-sulfanylbenzoate
Traditional Name:2-mercaptobenzoate; methyl(trioctyl)ammonium
Formula: C32H59NO2S
MolecularWeight: 521.88136
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.C1=CC=C(C(=C1)C(=O)[O-])S


Isomeric SMILES

CCCCCCCC[N+](C)(CCCCCCCC)CCCCCCCC.C1=CC=C(C(=C1)C(=O)[O-])S


InChI

InChI=1S/C25H54N.C7H6O2S/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;8-7(9)5-3-1-2-4-6(5)10/h5-25H2,1-4H3;1-4,10H,(H,8,9)/q+1;/p-1


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