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

Systemtic Name: (2R,3R)-2-(4-butoxy-3-chloranyl-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: (2R,3R)-2-(4-butoxy-3-chloro-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: (2R,3R)-2-(4-butoxy-3-chloro-5-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: (2R,3R)-2-(4-butoxy-3-chloro-5-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: (2R,3R)-2-(4-butoxy-3-chloro-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C20H21ClO6 MolecularWeight: 392.83014

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1Cl)C2C(OC3=CC=CC=C3O2)C(=O)O)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1Cl)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)O)OC

InChI

InChI=1S/C20H21ClO6/c1-3-4-9-25-18-13(21)10-12(11-16(18)24-2)17-19(20(22)23)27-15-8-6-5-7-14(15)26-17/h5-8,10-11,17,19H,3-4,9H2,1-2H3,(H,22,23)/t17-,19-/m1/s1