3-chloranyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyloxy)-5-methoxy-benzoic acid

Systemtic Name: 3-chloranyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyloxy)-5-methoxy-benzoic acid Openeye Name: 3-chloro-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyloxy)-5-methoxy-benzoic acid CAS Name: 3-chloro-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyloxy)-5-methoxybenzoic acid IUPAC Name: 3-chloro-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyloxy)-5-methoxybenzoic acid Traditional Name: 3-chloro-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyloxy)-5-methoxy-benzoic acid Formula: C17H15ClO8S MolecularWeight: 414.8142

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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)OCCCO3

Isomeric SMILES

COC1=C(C(=CC(=C1)C(=O)O)Cl)OS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C17H15ClO8S/c1-23-15-8-10(17(19)20)7-12(18)16(15)26-27(21,22)11-3-4-13-14(9-11)25-6-2-5-24-13/h3-4,7-9H,2,5-6H2,1H3,(H,19,20)