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

Systemtic Name: O1-ethyl O2-methyl 6-(4-bromophenyl)carbonyl-4-decyl-3-oxidanyl-benzene-1,2-dicarboxylate Openeye Name: O1-ethyl O2-methyl 6-(4-bromobenzoyl)-4-decyl-3-hydroxy-benzene-1,2-dicarboxylate CAS Name: 6-[(4-bromophenyl)-oxomethyl]-4-decyl-3-hydroxybenzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester IUPAC Name: 1-O-ethyl 2-O-methyl 6-(4-bromobenzoyl)-4-decyl-3-hydroxybenzene-1,2-dicarboxylate Traditional Name: 6-(4-bromobenzoyl)-4-decyl-3-hydroxy-benzene-1,2-dicarboxylic acid O1-ethyl ester O2-methyl ester Formula: C28H35BrO6 MolecularWeight: 547.4779

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)C(=O)OCC)C(=O)OC)O

Isomeric SMILES

CCCCCCCCCCC1=C(C(=C(C(=C1)C(=O)C2=CC=C(C=C2)Br)C(=O)OCC)C(=O)OC)O

InChI

InChI=1S/C28H35BrO6/c1-4-6-7-8-9-10-11-12-13-20-18-22(25(30)19-14-16-21(29)17-15-19)23(28(33)35-5-2)24(26(20)31)27(32)34-3/h14-18,31H,4-13H2,1-3H3