9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylic acid

Systemtic Name: 9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylic acid Openeye Name: 9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylic acid CAS Name: 9-methylsulfonyl-2,3-dihydro-1-benzoxepin-4-carboxylic acid IUPAC Name: 9-methylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylic acid Traditional Name: 9-mesyl-2,3-dihydro-1-benzoxepin-4-carboxylic acid Formula: C12H12O5S MolecularWeight: 268.28568

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1OCCC(=C2)C(=O)O

InChI

InChI=1S/C12H12O5S/c1-18(15,16)10-4-2-3-8-7-9(12(13)14)5-6-17-11(8)10/h2-4,7H,5-6H2,1H3,(H,13,14)