2,2-bis(2-carboxy-6-ethoxy-4-iodanyl-phenyl)octanedioic acid

Systemtic Name: 2,2-bis(2-carboxy-6-ethoxy-4-iodanyl-phenyl)octanedioic acid Openeye Name: 2,2-bis(2-carboxy-6-ethoxy-4-iodo-phenyl)octanedioic acid CAS Name: 2,2-bis(2-carboxy-6-ethoxy-4-iodophenyl)octanedioic acid IUPAC Name: 2,2-bis(2-carboxy-6-ethoxy-4-iodophenyl)octanedioic acid Traditional Name: 2,2-bis(2-carboxy-6-ethoxy-4-iodo-phenyl)suberic acid Formula: C26H28I2O10 MolecularWeight: 754.30346

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)I)C(=O)O)C(CCCCCC(=O)O)(C2=C(C=C(C=C2C(=O)O)I)OCC)C(=O)O

Isomeric SMILES

CCOC1=C(C(=CC(=C1)I)C(=O)O)C(CCCCCC(=O)O)(C2=C(C=C(C=C2C(=O)O)I)OCC)C(=O)O

InChI

InChI=1S/C26H28I2O10/c1-3-37-18-12-14(27)10-16(23(31)32)21(18)26(25(35)36,9-7-5-6-8-20(29)30)22-17(24(33)34)11-15(28)13-19(22)38-4-2/h10-13H,3-9H2,1-2H3,(H,29,30)(H,31,32)(H,33,34)(H,35,36)