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

Systemtic Name: (2R,3R)-2-(5-chloranyl-2-propoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2R,3R)-2-(5-chloro-2-propoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2R,3R)-2-(5-chloro-2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: (2R,3R)-2-(5-chloro-2-propoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2R,3R)-2-(5-chloro-2-propoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C18H16ClO5- MolecularWeight: 347.76964

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Cl)C2C(OC3=CC=CC=C3O2)C(=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Cl)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)[O-]

InChI

InChI=1S/C18H17ClO5/c1-2-9-22-13-8-7-11(19)10-12(13)16-17(18(20)21)24-15-6-4-3-5-14(15)23-16/h3-8,10,16-17H,2,9H2,1H3,(H,20,21)/p-1/t16-,17-/m1/s1