(4-chloranyl-2-propanoyl-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: (4-chloranyl-2-propanoyl-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: (4-chloro-2-propanoyl-phenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [4-chloro-2-(1-oxopropyl)phenyl] ester IUPAC Name: (4-chloro-2-propanoylphenyl) 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid (4-chloro-2-propionyl-phenyl) ester Formula: C17H15ClO6S MolecularWeight: 382.8154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CCC(=O)C1=C(C=CC(=C1)Cl)OS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C17H15ClO6S/c1-2-14(19)13-9-11(18)3-5-15(13)24-25(20,21)12-4-6-16-17(10-12)23-8-7-22-16/h3-6,9-10H,2,7-8H2,1H3