7-(1-azidoethyl)-3,4-dihydro-2H-1,5-benzoxathiepine-9-carboxylic acid

Systemtic Name: 7-(1-azidoethyl)-3,4-dihydro-2H-1,5-benzoxathiepine-9-carboxylic acid Openeye Name: 7-(1-azidoethyl)-3,4-dihydro-2H-1,5-benzoxathiepine-9-carboxylic acid CAS Name: 7-(1-azidoethyl)-3,4-dihydro-2H-1,5-benzoxathiepin-9-carboxylic acid IUPAC Name: 7-(1-azidoethyl)-3,4-dihydro-2H-1,5-benzoxathiepine-9-carboxylic acid Traditional Name: 7-(1-azidoethyl)-3,4-dihydro-2H-1,5-benzoxathiepin-9-carboxylic acid Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C(=C1)C(=O)O)OCCCS2)N=[N+]=[N-]

Isomeric SMILES

CC(C1=CC2=C(C(=C1)C(=O)O)OCCCS2)N=[N+]=[N-]

InChI

InChI=1S/C12H13N3O3S/c1-7(14-15-13)8-5-9(12(16)17)11-10(6-8)19-4-2-3-18-11/h5-7H,2-4H2,1H3,(H,16,17)