[2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate

Systemtic Name: [2-(4-ethylphenyl)-2-oxidanylidene-ethyl] 3-bromanyl-5-methoxy-4-oxidanyl-benzoate Openeye Name: [2-(4-ethylphenyl)-2-oxo-ethyl] 3-bromo-4-hydroxy-5-methoxy-benzoate CAS Name: 3-bromo-4-hydroxy-5-methoxybenzoic acid [2-(4-ethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethylphenyl)-2-oxoethyl] 3-bromo-4-hydroxy-5-methoxybenzoate Traditional Name: 3-bromo-4-hydroxy-5-methoxy-benzoic acid [2-(4-ethylphenyl)-2-keto-ethyl] ester Formula: C18H17BrO5 MolecularWeight: 393.22858

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C(=C2)Br)O)OC

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C(=C2)Br)O)OC

InChI

InChI=1S/C18H17BrO5/c1-3-11-4-6-12(7-5-11)15(20)10-24-18(22)13-8-14(19)17(21)16(9-13)23-2/h4-9,21H,3,10H2,1-2H3