3-[3-bromanyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]benzoic acid

Systemtic Name: 3-[3-bromanyl-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]benzoic acid Openeye Name: 3-[3-bromo-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]benzoic acid CAS Name: 3-[3-bromo-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]benzoic acid IUPAC Name: 3-[3-bromo-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]benzoic acid Traditional Name: 3-[3-bromo-2-(2-methoxyethyl)-4,6-bis(methoxymethoxy)phenyl]benzoic acid Formula: C20H23BrO7 MolecularWeight: 455.29642

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Descriptors Computed from Structure

Canonical SMILES:

COCCC1=C(C(=CC(=C1Br)OCOC)OCOC)C2=CC(=CC=C2)C(=O)O

Isomeric SMILES

COCCC1=C(C(=CC(=C1Br)OCOC)OCOC)C2=CC(=CC=C2)C(=O)O

InChI

InChI=1S/C20H23BrO7/c1-24-8-7-15-18(13-5-4-6-14(9-13)20(22)23)16(27-11-25-2)10-17(19(15)21)28-12-26-3/h4-6,9-10H,7-8,11-12H2,1-3H3,(H,22,23)