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5-oxidanylidene-3,4-dihydro-2H-1-benzothiepine-8-carboxylic acid

5-oxidanylidene-3,4-dihydro-2H-1-benzothiepine-8-carboxylic acid

Systemtic Name:5-oxidanylidene-3,4-dihydro-2H-1-benzothiepine-8-carboxylic acid
Openeye Name:5-oxo-3,4-dihydro-2H-1-benzothiepine-8-carboxylic acid
CAS Name:5-oxo-3,4-dihydro-2H-1-benzothiepin-8-carboxylic acid
IUPAC Name:5-oxo-3,4-dihydro-2H-1-benzothiepine-8-carboxylic acid
Traditional Name:5-keto-3,4-dihydro-2H-1-benzothiepin-8-carboxylic acid
Formula: C11H10O3S
MolecularWeight: 222.2603
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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)C2=C(C=C(C=C2)C(=O)O)SC1


Isomeric SMILES

C1CC(=O)C2=C(C=C(C=C2)C(=O)O)SC1


InChI

InChI=1S/C11H10O3S/c12-9-2-1-5-15-10-6-7(11(13)14)3-4-8(9)10/h3-4,6H,1-2,5H2,(H,13,14)


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