(2R,3R)-2-(3-hexoxy-4-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: (2R,3R)-2-(3-hexoxy-4-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: (2R,3R)-2-(3-hexoxy-4-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (2R,3R)-2-(3-hexoxy-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate IUPAC Name: (2R,3R)-2-(3-hexoxy-4-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (2R,3R)-2-(3-hexoxy-4-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylate Formula: C22H25O6- MolecularWeight: 385.4303

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC(=C1)C2C(OC3=CC=CC=C3O2)C(=O)[O-])OC

Isomeric SMILES

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

InChI

InChI=1S/C22H26O6/c1-3-4-5-8-13-26-19-14-15(11-12-16(19)25-2)20-21(22(23)24)28-18-10-7-6-9-17(18)27-20/h6-7,9-12,14,20-21H,3-5,8,13H2,1-2H3,(H,23,24)/p-1/t20-,21-/m1/s1