2-propyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate

Systemtic Name: 2-propyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Openeye Name: 2-propyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate CAS Name: 2-propyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylate IUPAC Name: 2-propyl-3,4-dihydro-2H-1,5-benzoxathiepine-4-carboxylate Traditional Name: 2-propyl-3,4-dihydro-2H-1,5-benzoxathiepin-4-carboxylate Formula: C13H15O3S- MolecularWeight: 251.3214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CC(SC2=CC=CC=C2O1)C(=O)[O-]

Isomeric SMILES

CCCC1CC(SC2=CC=CC=C2O1)C(=O)[O-]

InChI

InChI=1S/C13H16O3S/c1-2-5-9-8-12(13(14)15)17-11-7-4-3-6-10(11)16-9/h3-4,6-7,9,12H,2,5,8H2,1H3,(H,14,15)/p-1