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2,2-bis(2-bromanyl-6-carboxy-4-methyl-phenyl)hexanedioic acid

2,2-bis(2-bromanyl-6-carboxy-4-methyl-phenyl)hexanedioic acid

Systemtic Name:2,2-bis(2-bromanyl-6-carboxy-4-methyl-phenyl)hexanedioic acid
Openeye Name:2,2-bis(2-bromo-6-carboxy-4-methyl-phenyl)hexanedioic acid
CAS Name:2,2-bis(2-bromo-6-carboxy-4-methylphenyl)hexanedioic acid
IUPAC Name:2,2-bis(2-bromo-6-carboxy-4-methylphenyl)hexanedioic acid
Traditional Name:2,2-bis(2-bromo-6-carboxy-4-methyl-phenyl)adipic acid
Formula: C22H20Br2O8
MolecularWeight: 572.1974
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C(=O)O)C(CCCC(=O)O)(C2=C(C=C(C=C2C(=O)O)C)Br)C(=O)O)Br


Isomeric SMILES

CC1=CC(=C(C(=C1)C(=O)O)C(CCCC(=O)O)(C2=C(C=C(C=C2C(=O)O)C)Br)C(=O)O)Br


InChI

InChI=1S/C22H20Br2O8/c1-10-6-12(19(27)28)17(14(23)8-10)22(21(31)32,5-3-4-16(25)26)18-13(20(29)30)7-11(2)9-15(18)24/h6-9H,3-5H2,1-2H3,(H,25,26)(H,27,28)(H,29,30)(H,31,32)


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