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

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

Systemtic Name:2,2-bis(2-carboxy-6-ethoxy-4-iodanyl-phenyl)octanedioate
Openeye Name:2,2-bis(2-carboxy-6-ethoxy-4-iodo-phenyl)octanedioate
CAS Name:2,2-bis(2-carboxy-6-ethoxy-4-iodophenyl)octanedioate
IUPAC Name:2,2-bis(2-carboxy-6-ethoxy-4-iodophenyl)octanedioate
Traditional Name:2,2-bis(2-carboxy-6-ethoxy-4-iodo-phenyl)suberate
Formula: C26H26I2O10-2
MolecularWeight: 752.28758
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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)/p-2


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