(7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate

Systemtic Name: (7-chloranyl-1,3-benzodioxol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Openeye Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate CAS Name: 4-(1,3-dithiolan-2-yl)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (7-chloro-1,3-benzodioxol-5-yl)methyl 4-(1,3-dithiolan-2-yl)benzoate Traditional Name: 4-(1,3-dithiolan-2-yl)benzoic acid (7-chloro-1,3-benzodioxol-5-yl)methyl ester Formula: C18H15ClO4S2 MolecularWeight: 394.8923

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

Isomeric SMILES

C1CSC(S1)C2=CC=C(C=C2)C(=O)OCC3=CC4=C(C(=C3)Cl)OCO4

InChI

InChI=1S/C18H15ClO4S2/c19-14-7-11(8-15-16(14)23-10-22-15)9-21-17(20)12-1-3-13(4-2-12)18-24-5-6-25-18/h1-4,7-8,18H,5-6,9-10H2