[3-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl] 2-bromanyl-5-methoxy-benzoate

Systemtic Name: [3-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl] 2-bromanyl-5-methoxy-benzoate Openeye Name: [3-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl] 2-bromo-5-methoxy-benzoate CAS Name: 2-bromo-5-methoxybenzoic acid [3-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl] ester IUPAC Name: [3-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl] 2-bromo-5-methoxybenzoate Traditional Name: 2-bromo-5-methoxy-benzoic acid [3-(5,5-dimethyl-1,3-dioxan-2-yl)phenyl] ester Formula: C20H21BrO5 MolecularWeight: 421.28174

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC(OC1)C2=CC(=CC=C2)OC(=O)C3=C(C=CC(=C3)OC)Br)C

Isomeric SMILES

CC1(COC(OC1)C2=CC(=CC=C2)OC(=O)C3=C(C=CC(=C3)OC)Br)C

InChI

InChI=1S/C20H21BrO5/c1-20(2)11-24-19(25-12-20)13-5-4-6-15(9-13)26-18(22)16-10-14(23-3)7-8-17(16)21/h4-10,19H,11-12H2,1-3H3