butane-1-sulfonic acid; 3-methyl-1-(thiolan-2-yl)butan-2-one

Systemtic Name: butane-1-sulfonic acid; 3-methyl-1-(thiolan-2-yl)butan-2-one Openeye Name: butane-1-sulfonic acid; 3-methyl-1-tetrahydrothiophen-2-yl-butan-2-one CAS Name: 1-butanesulfonic acid; 3-methyl-1-(2-thiolanyl)-2-butanone IUPAC Name: butane-1-sulfonic acid; 3-methyl-1-(thiolan-2-yl)butan-2-one Traditional Name: butane-1-sulfonic acid; 3-methyl-1-tetrahydrothiophen-2-yl-butan-2-one Formula: C13H26O4S2 MolecularWeight: 310.47314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)O.CC(C)C(=O)CC1CCCS1

Isomeric SMILES

CCCCS(=O)(=O)O.CC(C)C(=O)CC1CCCS1

InChI

InChI=1S/C9H16OS.C4H10O3S/c1-7(2)9(10)6-8-4-3-5-11-8;1-2-3-4-8(5,6)7/h7-8H,3-6H2,1-2H3;2-4H2,1H3,(H,5,6,7)