2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-3-[3,5-bis(bromanyl)-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]propanoic acid

Systemtic Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-3-[3,5-bis(bromanyl)-4-(3-iodanyl-4-oxidanyl-phenoxy)phenyl]propanoic acid Openeye Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-3-[3,5-dibromo-4-(4-hydroxy-3-iodo-phenoxy)phenyl]propanoic acid CAS Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-3-[3,5-dibromo-4-(4-hydroxy-3-iodophenoxy)phenyl]propanoic acid IUPAC Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-3-[3,5-dibromo-4-(4-hydroxy-3-iodophenoxy)phenyl]propanoic acid Traditional Name: 2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]-3-[3,5-dibromo-4-(4-hydroxy-3-iodo-phenoxy)phenyl]propionic acid Formula: C27H30Br2IN3O12 MolecularWeight: 875.25247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1OC2=C(C=C(C=C2Br)CC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)Br)I)O

Isomeric SMILES

C1=CC(=C(C=C1OC2=C(C=C(C=C2Br)CC(C(=O)O)N(CCN(CC(=O)O)CC(=O)O)CCN(CC(=O)O)CC(=O)O)Br)I)O

InChI

InChI=1S/C27H30Br2IN3O12/c28-17-7-15(8-18(29)26(17)45-16-1-2-21(34)19(30)10-16)9-20(27(43)44)33(5-3-31(11-22(35)36)12-23(37)38)6-4-32(13-24(39)40)14-25(41)42/h1-2,7-8,10,20,34H,3-6,9,11-14H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H,43,44)