3,4,5,6-tetrakis(bromanyl)-1-octan-3-yl-cyclohexa-3,5-diene-1,2-dicarboxylic acid

Systemtic Name: 3,4,5,6-tetrakis(bromanyl)-1-octan-3-yl-cyclohexa-3,5-diene-1,2-dicarboxylic acid Openeye Name: 3,4,5,6-tetrabromo-1-(1-ethylhexyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid CAS Name: 3,4,5,6-tetrabromo-1-octan-3-ylcyclohexa-3,5-diene-1,2-dicarboxylic acid IUPAC Name: 3,4,5,6-tetrabromo-1-octan-3-ylcyclohexa-3,5-diene-1,2-dicarboxylic acid Traditional Name: 3,4,5,6-tetrabromo-1-(1-ethylhexyl)cyclohexa-3,5-diene-1,2-dicarboxylic acid Formula: C16H20Br4O4 MolecularWeight: 595.9436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)C1(C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)C(=O)O

Isomeric SMILES

CCCCCC(CC)C1(C(C(=C(C(=C1Br)Br)Br)Br)C(=O)O)C(=O)O

InChI

InChI=1S/C16H20Br4O4/c1-3-5-6-7-8(4-2)16(15(23)24)9(14(21)22)10(17)11(18)12(19)13(16)20/h8-9H,3-7H2,1-2H3,(H,21,22)(H,23,24)