(1-butoxy-1-oxidanylidene-hexan-2-yl)azanium; 2-dodecylbenzenesulfonate

Systemtic Name: (1-butoxy-1-oxidanylidene-hexan-2-yl)azanium; 2-dodecylbenzenesulfonate Openeye Name: 1-butoxycarbonylpentylammonium; 2-dodecylbenzenesulfonate CAS Name: (1-butoxy-1-oxohexan-2-yl)ammonium; 2-dodecylbenzenesulfonate IUPAC Name: (1-butoxy-1-oxohexan-2-yl)azanium; 2-dodecylbenzenesulfonate Traditional Name: 1-butoxycarbonylpentylammonium; 2-laurylbesylate Formula: C28H51NO5S MolecularWeight: 513.77324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCC(C(=O)OCCCC)[NH3+]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=CC=C1S(=O)(=O)[O-].CCCCC(C(=O)OCCCC)[NH3+]

InChI

InChI=1S/C18H30O3S.C10H21NO2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16-18(17)22(19,20)21;1-3-5-7-9(11)10(12)13-8-6-4-2/h12-13,15-16H,2-11,14H2,1H3,(H,19,20,21);9H,3-8,11H2,1-2H3