3-chloranyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyloxy)-5-methoxy-benzoic acid

Systemtic Name: 3-chloranyl-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyloxy)-5-methoxy-benzoic acid Openeye Name: 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyloxy)-5-methoxy-benzoic acid CAS Name: 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyloxy)-5-methoxybenzoic acid IUPAC Name: 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyloxy)-5-methoxybenzoic acid Traditional Name: 3-chloro-4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyloxy)-5-methoxy-benzoic acid Formula: C16H13ClO8S MolecularWeight: 400.78762

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C16H13ClO8S/c1-22-14-7-9(16(18)19)6-11(17)15(14)25-26(20,21)10-2-3-12-13(8-10)24-5-4-23-12/h2-3,6-8H,4-5H2,1H3,(H,18,19)