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

Systemtic Name: 2-methyl-2-propyl-1,3-benzoxathiole-5-carboxylic acid Openeye Name: 2-methyl-2-propyl-1,3-benzoxathiole-5-carboxylic acid CAS Name: 2-methyl-2-propyl-1,3-benzoxathiole-5-carboxylic acid IUPAC Name: 2-methyl-2-propyl-1,3-benzoxathiole-5-carboxylic acid Traditional Name: 2-methyl-2-propyl-1,3-benzoxathiole-5-carboxylic acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(OC2=C(S1)C=C(C=C2)C(=O)O)C

Isomeric SMILES

CCCC1(OC2=C(S1)C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C12H14O3S/c1-3-6-12(2)15-9-5-4-8(11(13)14)7-10(9)16-12/h4-5,7H,3,6H2,1-2H3,(H,13,14)