2-cyclopropyl-2-methyl-1,3-benzoxathiole-5-carboxylic acid

Systemtic Name: 2-cyclopropyl-2-methyl-1,3-benzoxathiole-5-carboxylic acid Openeye Name: 2-cyclopropyl-2-methyl-1,3-benzoxathiole-5-carboxylic acid CAS Name: 2-cyclopropyl-2-methyl-1,3-benzoxathiole-5-carboxylic acid IUPAC Name: 2-cyclopropyl-2-methyl-1,3-benzoxathiole-5-carboxylic acid Traditional Name: 2-cyclopropyl-2-methyl-1,3-benzoxathiole-5-carboxylic acid Formula: C12H12O3S MolecularWeight: 236.28688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(OC2=C(S1)C=C(C=C2)C(=O)O)C3CC3

Isomeric SMILES

CC1(OC2=C(S1)C=C(C=C2)C(=O)O)C3CC3

InChI

InChI=1S/C12H12O3S/c1-12(8-3-4-8)15-9-5-2-7(11(13)14)6-10(9)16-12/h2,5-6,8H,3-4H2,1H3,(H,13,14)