2,2-dimethyl-3-[(E)-(2-oxidanylidenethian-3-ylidene)methyl]cyclopropane-1-carboxylic acid

Systemtic Name: 2,2-dimethyl-3-[(E)-(2-oxidanylidenethian-3-ylidene)methyl]cyclopropane-1-carboxylic acid Openeye Name: 2,2-dimethyl-3-[(E)-(2-oxotetrahydrothiopyran-3-ylidene)methyl]cyclopropanecarboxylic acid CAS Name: 2,2-dimethyl-3-[(E)-(2-oxo-3-thianylidene)methyl]-1-cyclopropanecarboxylic acid IUPAC Name: 2,2-dimethyl-3-[(E)-(2-oxothian-3-ylidene)methyl]cyclopropane-1-carboxylic acid Traditional Name: 3-[(E)-(2-ketotetrahydrothiopyran-3-ylidene)methyl]-2,2-dimethyl-cyclopropanecarboxylic acid Formula: C12H16O3S MolecularWeight: 240.31864

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C1C(=O)O)C=C2CCCSC2=O)C

Isomeric SMILES

CC1(C(C1C(=O)O)/C=C/2\CCCSC2=O)C

InChI

InChI=1S/C12H16O3S/c1-12(2)8(9(12)10(13)14)6-7-4-3-5-16-11(7)15/h6,8-9H,3-5H2,1-2H3,(H,13,14)/b7-6+