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

Systemtic Name: (2R,3R)-2-(3-chloranyl-4-ethoxy-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: (2R,3R)-2-(3-chloro-4-ethoxy-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: (2R,3R)-2-(3-chloro-4-ethoxy-5-methoxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: (2R,3R)-2-(3-chloro-4-ethoxy-5-methoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: (2R,3R)-2-(3-chloro-4-ethoxy-5-methoxy-phenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C18H17ClO6 MolecularWeight: 364.77698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Cl)C2C(OC3=CC=CC=C3O2)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Cl)[C@@H]2[C@@H](OC3=CC=CC=C3O2)C(=O)O)OC

InChI

InChI=1S/C18H17ClO6/c1-3-23-16-11(19)8-10(9-14(16)22-2)15-17(18(20)21)25-13-7-5-4-6-12(13)24-15/h4-9,15,17H,3H2,1-2H3,(H,20,21)/t15-,17-/m1/s1