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

Systemtic Name: (2R,3R)-2-(2-hexoxy-3-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: (2R,3R)-2-(2-hexoxy-3-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: (2R,3R)-2-(2-hexoxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: (2R,3R)-2-(2-hexoxy-3-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: (2R,3R)-2-(2-hexoxy-3-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C22H26O6 MolecularWeight: 386.43824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC=C1OC)C2C(OC3=CC=CC=C3O2)C(=O)O

Isomeric SMILES

CCCCCCOC1=C(C=CC=C1OC)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)O

InChI

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