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

Systemtic Name: (6-chloranyl-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-dithian-2-yl)benzoate Openeye Name: (6-chloro-4H-1,3-benzodioxin-8-yl)methyl 4-(1,3-dithian-2-yl)benzoate CAS Name: 4-(1,3-dithian-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-dithian-2-yl)benzoate Traditional Name: 4-(1,3-dithian-2-yl)benzoic acid (6-chloro-4H-1,3-benzodioxin-8-yl)methyl ester Formula: C20H19ClO4S2 MolecularWeight: 422.94546

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

C1CSC(SC1)C2=CC=C(C=C2)C(=O)OCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C20H19ClO4S2/c21-17-8-15-10-23-12-25-18(15)16(9-17)11-24-19(22)13-2-4-14(5-3-13)20-26-6-1-7-27-20/h2-5,8-9,20H,1,6-7,10-12H2