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3-ethoxy-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylic acid

3-ethoxy-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylic acid

Systemtic Name:3-ethoxy-6,6-dimethyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylic acid
Openeye Name:3-ethoxy-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid
CAS Name:3-ethoxy-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid
IUPAC Name:3-ethoxy-6,6-dimethyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid
Traditional Name:3-ethoxy-4-keto-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carboxylic acid
Formula: C13H16O4S
MolecularWeight: 268.32874
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C2C(=C(S1)C(=O)O)CC(CC2=O)(C)C


Isomeric SMILES

CCOC1=C2C(=C(S1)C(=O)O)CC(CC2=O)(C)C


InChI

InChI=1S/C13H16O4S/c1-4-17-12-9-7(10(18-12)11(15)16)5-13(2,3)6-8(9)14/h4-6H2,1-3H3,(H,15,16)


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