1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; didecyl(dimethyl)azanium

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-olate; didecyl(dimethyl)azanium Openeye Name: didecyl(dimethyl)ammonium; 1,1-dioxo-1,2-benzothiazol-3-olate CAS Name: didecyl(dimethyl)ammonium; 1,1-dioxo-1,2-benzothiazol-3-olate IUPAC Name: didecyl(dimethyl)azanium; 1,1-dioxo-1,2-benzothiazol-3-olate Traditional Name: didecyl(dimethyl)ammonium; 1,1-diketo-1,2-benzothiazol-3-olate Formula: C29H52N2O3S MolecularWeight: 508.79978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

Isomeric SMILES

CCCCCCCCCC[N+](C)(C)CCCCCCCCCC.C1=CC=C2C(=C1)C(=NS2(=O)=O)[O-]

InChI

InChI=1S/C22H48N.C7H5NO3S/c1-5-7-9-11-13-15-17-19-21-23(3,4)22-20-18-16-14-12-10-8-6-2;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h5-22H2,1-4H3;1-4H,(H,8,9)/q+1;/p-1