benzene-1,3-disulfonic acid; dodecyl(trimethyl)azanium

Systemtic Name: benzene-1,3-disulfonic acid; dodecyl(trimethyl)azanium Openeye Name: benzene-1,3-disulfonic acid; dodecyl(trimethyl)ammonium CAS Name: benzene-1,3-disulfonic acid; dodecyl(trimethyl)ammonium IUPAC Name: benzene-1,3-disulfonic acid; dodecyl(trimethyl)azanium Traditional Name: benzene-1,3-disulfonic acid; lauryl(trimethyl)ammonium Formula: C21H40NO6S2+ MolecularWeight: 466.6754

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H34N.C6H6O6S2/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;7-13(8,9)5-2-1-3-6(4-5)14(10,11)12/h5-15H2,1-4H3;1-4H,(H,7,8,9)(H,10,11,12)/q+1;