3-butyl-5-(1,3-dioxol-4-ylmethyl)-6-oxidanylidene-4-sulfanylidene-cyclohexene-1-sulfonic acid

Systemtic Name: 3-butyl-5-(1,3-dioxol-4-ylmethyl)-6-oxidanylidene-4-sulfanylidene-cyclohexene-1-sulfonic acid Openeye Name: 3-butyl-5-(1,3-dioxol-4-ylmethyl)-6-oxo-4-thioxo-cyclohexene-1-sulfonic acid CAS Name: 3-butyl-5-(1,3-dioxol-4-ylmethyl)-6-oxo-4-sulfanylidene-1-cyclohexenesulfonic acid IUPAC Name: 3-butyl-5-(1,3-dioxol-4-ylmethyl)-6-oxo-4-sulfanylidenecyclohexene-1-sulfonic acid Traditional Name: 3-butyl-5-(1,3-dioxol-4-ylmethyl)-6-keto-4-thioxo-cyclohexene-1-sulfonic acid Formula: C14H18O6S2 MolecularWeight: 346.41912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1C=C(C(=O)C(C1=S)CC2=COCO2)S(=O)(=O)O

Isomeric SMILES

CCCCC1C=C(C(=O)C(C1=S)CC2=COCO2)S(=O)(=O)O

InChI

InChI=1S/C14H18O6S2/c1-2-3-4-9-5-12(22(16,17)18)13(15)11(14(9)21)6-10-7-19-8-20-10/h5,7,9,11H,2-4,6,8H2,1H3,(H,16,17,18)