7-ethyl-3,4-dihydro-2H-1,5-benzoxathiepine-9-carboxylic acid

Systemtic Name: 7-ethyl-3,4-dihydro-2H-1,5-benzoxathiepine-9-carboxylic acid Openeye Name: 7-ethyl-3,4-dihydro-2H-1,5-benzoxathiepine-9-carboxylic acid CAS Name: 7-ethyl-3,4-dihydro-2H-1,5-benzoxathiepin-9-carboxylic acid IUPAC Name: 7-ethyl-3,4-dihydro-2H-1,5-benzoxathiepine-9-carboxylic acid Traditional Name: 7-ethyl-3,4-dihydro-2H-1,5-benzoxathiepin-9-carboxylic acid Formula: C12H14O3S MolecularWeight: 238.30276

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C(=C1)C(=O)O)OCCCS2

Isomeric SMILES

CCC1=CC2=C(C(=C1)C(=O)O)OCCCS2

InChI

InChI=1S/C12H14O3S/c1-2-8-6-9(12(13)14)11-10(7-8)16-5-3-4-15-11/h6-7H,2-5H2,1H3,(H,13,14)