butane-1-sulfonate; 2-(2-cyclopentyl-1,4-dithian-1-ium-1-yl)ethanal

Systemtic Name: butane-1-sulfonate; 2-(2-cyclopentyl-1,4-dithian-1-ium-1-yl)ethanal Openeye Name: butane-1-sulfonate; 2-(2-cyclopentyl-1,4-dithian-1-ium-1-yl)acetaldehyde CAS Name: 1-butanesulfonate; 2-(2-cyclopentyl-1,4-dithian-1-ium-1-yl)acetaldehyde IUPAC Name: butane-1-sulfonate; 2-(2-cyclopentyl-1,4-dithian-1-ium-1-yl)acetaldehyde Traditional Name: butane-1-sulfonate; 2-(2-cyclopentyl-1,4-dithian-1-ium-1-yl)acetaldehyde Formula: C15H28O4S3 MolecularWeight: 368.57542

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)[O-].C1CCC(C1)C2CSCC[S+]2CC=O

Isomeric SMILES

CCCCS(=O)(=O)[O-].C1CCC(C1)C2CSCC[S+]2CC=O

InChI

InChI=1S/C11H19OS2.C4H10O3S/c12-5-7-14-8-6-13-9-11(14)10-3-1-2-4-10;1-2-3-4-8(5,6)7/h5,10-11H,1-4,6-9H2;2-4H2,1H3,(H,5,6,7)/q+1;/p-1