[(2S)-6-chloranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3,4,5-trimethoxybenzoate

Systemtic Name: [(2S)-6-chloranyl-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3,4,5-trimethoxybenzoate Openeye Name: [(2S)-6-chloro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3,4,5-trimethoxybenzoate CAS Name: 3,4,5-trimethoxybenzoic acid [(2S)-6-chloro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester IUPAC Name: [(2S)-6-chloro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl 3,4,5-trimethoxybenzoate Traditional Name: 3,4,5-trimethoxybenzoic acid [(2S)-6-chloro-2-phenyl-4H-1,3-benzodioxin-8-yl]methyl ester Formula: C25H23ClO7 MolecularWeight: 470.89892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=C3C(=CC(=C2)Cl)COC(O3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)OCC2=C3C(=CC(=C2)Cl)CO[C@@H](O3)C4=CC=CC=C4

InChI

InChI=1S/C25H23ClO7/c1-28-20-11-16(12-21(29-2)23(20)30-3)24(27)31-13-17-9-19(26)10-18-14-32-25(33-22(17)18)15-7-5-4-6-8-15/h4-12,25H,13-14H2,1-3H3/t25-/m0/s1