ethyl 9-chloranylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylate

Systemtic Name: ethyl 9-chloranylsulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylate Openeye Name: ethyl 9-chlorosulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylate CAS Name: 9-chlorosulfonyl-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester IUPAC Name: ethyl 9-chlorosulfonyl-2,3-dihydro-1-benzoxepine-4-carboxylate Traditional Name: 9-chlorosulfonyl-2,3-dihydro-1-benzoxepin-4-carboxylic acid ethyl ester Formula: C13H13ClO5S MolecularWeight: 316.75732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C(=CC=C2)S(=O)(=O)Cl)OCC1

Isomeric SMILES

CCOC(=O)C1=CC2=C(C(=CC=C2)S(=O)(=O)Cl)OCC1

InChI

InChI=1S/C13H13ClO5S/c1-2-18-13(15)10-6-7-19-12-9(8-10)4-3-5-11(12)20(14,16)17/h3-5,8H,2,6-7H2,1H3