(2R,3R)-2-(4-hexoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: (2R,3R)-2-(4-hexoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: (2R,3R)-2-(4-hexoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: (2R,3R)-2-(4-hexoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: (2R,3R)-2-(4-hexoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: (2R,3R)-2-(4-hexoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C21H24O5 MolecularWeight: 356.41226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24O5/c1-2-3-4-7-14-24-16-12-10-15(11-13-16)19-20(21(22)23)26-18-9-6-5-8-17(18)25-19/h5-6,8-13,19-20H,2-4,7,14H2,1H3,(H,22,23)/t19-,20-/m1/s1