8-ethylsulfanyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid

Systemtic Name: 8-ethylsulfanyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Openeye Name: 8-ethylsulfanyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid CAS Name: 8-(ethylthio)-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid IUPAC Name: 8-ethylsulfanyl-3,4-dihydro-2H-1,5-benzodioxepine-6-carboxylic acid Traditional Name: 8-(ethylthio)-3,4-dihydro-2H-1,5-benzodioxepin-6-carboxylic acid Formula: C12H14O4S MolecularWeight: 254.30216

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC2=C(C(=C1)C(=O)O)OCCCO2

Isomeric SMILES

CCSC1=CC2=C(C(=C1)C(=O)O)OCCCO2

InChI

InChI=1S/C12H14O4S/c1-2-17-8-6-9(12(13)14)11-10(7-8)15-4-3-5-16-11/h6-7H,2-5H2,1H3,(H,13,14)