O1-ethyl O2-methyl 6-(4-bromophenyl)carbonyl-3-oxidanyl-4-pentyl-benzene-1,2-dicarboxylate

Systemtic Name: O1-ethyl O2-methyl 6-(4-bromophenyl)carbonyl-3-oxidanyl-4-pentyl-benzene-1,2-dicarboxylate Openeye Name: O1-ethyl O2-methyl 6-(4-bromobenzoyl)-3-hydroxy-4-pentyl-benzene-1,2-dicarboxylate CAS Name: 6-[(4-bromophenyl)-oxomethyl]-3-hydroxy-4-pentylbenzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester IUPAC Name: 1-O-ethyl 2-O-methyl 6-(4-bromobenzoyl)-3-hydroxy-4-pentylbenzene-1,2-dicarboxylate Traditional Name: 4-amyl-6-(4-bromobenzoyl)-3-hydroxy-benzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester Formula: C23H25BrO6 MolecularWeight: 477.345

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)C(=O)OCC)C(=O)OC)O

Isomeric SMILES

CCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)C(=O)OCC)C(=O)OC)O

InChI

InChI=1S/C23H25BrO6/c1-4-6-7-8-15-13-17(20(25)14-9-11-16(24)12-10-14)18(23(28)30-5-2)19(21(15)26)22(27)29-3/h9-13,26H,4-8H2,1-3H3