ethyl 5-(1,3-benzodioxol-5-ylsulfonyl)-6-chloranyl-1,3-benzodioxole-2-carboxylate

Systemtic Name: ethyl 5-(1,3-benzodioxol-5-ylsulfonyl)-6-chloranyl-1,3-benzodioxole-2-carboxylate Openeye Name: ethyl 5-(1,3-benzodioxol-5-ylsulfonyl)-6-chloro-1,3-benzodioxole-2-carboxylate CAS Name: 5-(1,3-benzodioxol-5-ylsulfonyl)-6-chloro-1,3-benzodioxole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-(1,3-benzodioxol-5-ylsulfonyl)-6-chloro-1,3-benzodioxole-2-carboxylate Traditional Name: 5-(1,3-benzodioxol-5-ylsulfonyl)-6-chloro-1,3-benzodioxole-2-carboxylic acid ethyl ester Formula: C17H13ClO8S MolecularWeight: 412.79832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1OC2=CC(=C(C=C2O1)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC(=O)C1OC2=CC(=C(C=C2O1)Cl)S(=O)(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H13ClO8S/c1-2-22-16(19)17-25-13-6-10(18)15(7-14(13)26-17)27(20,21)9-3-4-11-12(5-9)24-8-23-11/h3-7,17H,2,8H2,1H3