(2R,3R)-2-(5-chloranyl-2-hexoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: (2R,3R)-2-(5-chloranyl-2-hexoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: (2R,3R)-2-(5-chloro-2-hexoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: (2R,3R)-2-(5-chloro-2-hexoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: (2R,3R)-2-(5-chloro-2-hexoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: (2R,3R)-2-(5-chloro-2-hexoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C21H23ClO5 MolecularWeight: 390.85732

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)Cl)C2C(OC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)Cl)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)O

InChI

InChI=1S/C21H23ClO5/c1-2-3-4-7-12-25-16-11-10-14(22)13-15(16)19-20(21(23)24)27-18-9-6-5-8-17(18)26-19/h5-6,8-11,13,19-20H,2-4,7,12H2,1H3,(H,23,24)/t19-,20-/m1/s1