butane-1-sulfonate; 1-(1,4-dithian-1-ium-1-yl)octan-2-one

Systemtic Name: butane-1-sulfonate; 1-(1,4-dithian-1-ium-1-yl)octan-2-one Openeye Name: butane-1-sulfonate; 1-(1,4-dithian-1-ium-1-yl)octan-2-one CAS Name: 1-butanesulfonate; 1-(1,4-dithian-1-ium-1-yl)-2-octanone IUPAC Name: butane-1-sulfonate; 1-(1,4-dithian-1-ium-1-yl)octan-2-one Traditional Name: butane-1-sulfonate; 1-(1,4-dithian-1-ium-1-yl)octan-2-one Formula: C16H32O4S3 MolecularWeight: 384.61788

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C[S+]1CCSCC1.CCCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCC(=O)C[S+]1CCSCC1.CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C12H23OS2.C4H10O3S/c1-2-3-4-5-6-12(13)11-15-9-7-14-8-10-15;1-2-3-4-8(5,6)7/h2-11H2,1H3;2-4H2,1H3,(H,5,6,7)/q+1;/p-1