5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylamino)-1-oxidanyl-ethyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylamino)-1-oxidanyl-ethyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylamino)-1-hydroxy-ethyl]-2-hydroxy-benzoic acid CAS Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylamino)-1-hydroxyethyl]-2-hydroxybenzoic acid IUPAC Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylamino)-1-hydroxyethyl]-2-hydroxybenzoic acid Traditional Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-3-ylamino)-1-hydroxy-ethyl]-2-hydroxy-benzoic acid Formula: C17H17NO6 MolecularWeight: 331.31998

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)NCC(C3=CC(=C(C=C3)O)C(=O)O)O

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)NCC(C3=CC(=C(C=C3)O)C(=O)O)O

InChI

InChI=1S/C17H17NO6/c19-12-6-5-10(7-11(12)17(21)22)13(20)8-18-16-9-23-14-3-1-2-4-15(14)24-16/h1-7,13,16,18-20H,8-9H2,(H,21,22)