(2S,3S)-2-(3-phenethyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid

Systemtic Name: (2S,3S)-2-(3-phenethyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Openeye Name: (2S,3S)-2-(3-phenethyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid CAS Name: (2S,3S)-2-(3-phenethyloxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid IUPAC Name: (2S,3S)-2-(3-phenethyloxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxylic acid Traditional Name: (2S,3S)-2-(3-phenethyloxyphenyl)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid Formula: C23H20O5 MolecularWeight: 376.4019

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)C3C(OC4=CC=CC=C4O3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=CC=CC(=C2)[C@H]3[C@H](OC4=CC=CC=C4O3)C(=O)O

InChI

InChI=1S/C23H20O5/c24-23(25)22-21(27-19-11-4-5-12-20(19)28-22)17-9-6-10-18(15-17)26-14-13-16-7-2-1-3-8-16/h1-12,15,21-22H,13-14H2,(H,24,25)/t21-,22-/m0/s1