(2R,3R)-2-(2-butoxy-5-chloranyl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (2R,3R)-2-(2-butoxy-5-chloranyl-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2R,3R)-2-(2-butoxy-5-chloro-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2R,3R)-2-(2-butoxy-5-chlorophenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: (2R,3R)-2-(2-butoxy-5-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2R,3R)-2-(2-butoxy-5-chloro-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C19H18ClO5- MolecularWeight: 361.79622

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Cl)C2C(OC3=CC=CC=C3O2)C(=O)[O-]

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Cl)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)[O-]

InChI

InChI=1S/C19H19ClO5/c1-2-3-10-23-14-9-8-12(20)11-13(14)17-18(19(21)22)25-16-7-5-4-6-15(16)24-17/h4-9,11,17-18H,2-3,10H2,1H3,(H,21,22)/p-1/t17-,18-/m1/s1