methyl 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]benzoate Openeye Name: methyl 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]benzoate CAS Name: 4-[[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanylmethyl]benzoate Traditional Name: 4-[[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]methyl]benzoic acid methyl ester Formula: C18H17ClO4S MolecularWeight: 364.84318

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSCC2=C3C(=CC(=C2)Cl)COCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSCC2=C3C(=CC(=C2)Cl)COCO3

InChI

InChI=1S/C18H17ClO4S/c1-21-18(20)13-4-2-12(3-5-13)9-24-10-15-7-16(19)6-14-8-22-11-23-17(14)15/h2-7H,8-11H2,1H3