2,4-bis(2-iodanyl-4-pentyl-phenyl)benzene-1,3-dicarboxylic acid

Systemtic Name: 2,4-bis(2-iodanyl-4-pentyl-phenyl)benzene-1,3-dicarboxylic acid Openeye Name: 2,4-bis(2-iodo-4-pentyl-phenyl)benzene-1,3-dicarboxylic acid CAS Name: 2,4-bis(2-iodo-4-pentylphenyl)benzene-1,3-dicarboxylic acid IUPAC Name: 2,4-bis(2-iodo-4-pentylphenyl)benzene-1,3-dicarboxylic acid Traditional Name: 2,4-bis(4-amyl-2-iodo-phenyl)isophthalic acid Formula: C30H32I2O4 MolecularWeight: 710.38162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C3=C(C=C(C=C3)CCCCC)I)C(=O)O)I

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C2=C(C(=C(C=C2)C(=O)O)C3=C(C=C(C=C3)CCCCC)I)C(=O)O)I

InChI

InChI=1S/C30H32I2O4/c1-3-5-7-9-19-11-13-21(25(31)17-19)22-15-16-24(29(33)34)27(28(22)30(35)36)23-14-12-20(18-26(23)32)10-8-6-4-2/h11-18H,3-10H2,1-2H3,(H,33,34)(H,35,36)