(6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester IUPAC Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C19H17ClO4S2 MolecularWeight: 408.91888

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C19H17ClO4S2/c20-16-7-14-9-22-11-24-17(14)15(8-16)10-23-18(21)12-1-3-13(4-2-12)19-25-5-6-26-19/h1-4,7-8,19H,5-6,9-11H2