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

Systemtic Name: O1-ethyl O2-methyl 6-(4-bromophenyl)carbonyl-4-nonyl-3-oxidanyl-benzene-1,2-dicarboxylate Openeye Name: O1-ethyl O2-methyl 6-(4-bromobenzoyl)-3-hydroxy-4-nonyl-benzene-1,2-dicarboxylate CAS Name: 6-[(4-bromophenyl)-oxomethyl]-3-hydroxy-4-nonylbenzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester IUPAC Name: 1-O-ethyl 2-O-methyl 6-(4-bromobenzoyl)-3-hydroxy-4-nonylbenzene-1,2-dicarboxylate Traditional Name: 6-(4-bromobenzoyl)-3-hydroxy-4-nonyl-benzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester Formula: C27H33BrO6 MolecularWeight: 533.45132

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)C(=O)OCC)C(=O)OC)O

Isomeric SMILES

CCCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)C(=O)OCC)C(=O)OC)O

InChI

InChI=1S/C27H33BrO6/c1-4-6-7-8-9-10-11-12-19-17-21(24(29)18-13-15-20(28)16-14-18)22(27(32)34-5-2)23(25(19)30)26(31)33-3/h13-17,30H,4-12H2,1-3H3