2-[[5-[(E)-2-[3,5-bis[[bis(carboxymethyl)amino]methyl]-4-oxidanyl-phenyl]ethenyl]-3-[[bis(carboxymethyl)amino]methyl]-2-oxidanyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid

Systemtic Name: 2-[[5-[(E)-2-[3,5-bis[[bis(carboxymethyl)amino]methyl]-4-oxidanyl-phenyl]ethenyl]-3-[[bis(carboxymethyl)amino]methyl]-2-oxidanyl-phenyl]methyl-(carboxymethyl)amino]ethanoic acid Openeye Name: 2-[[5-[(E)-2-[3,5-bis[[bis(carboxymethyl)amino]methyl]-4-hydroxy-phenyl]vinyl]-3-[[bis(carboxymethyl)amino]methyl]-2-hydroxy-phenyl]methyl-(carboxymethyl)amino]acetic acid CAS Name: 2-[[5-[(E)-2-[3,5-bis[[bis(carboxymethyl)amino]methyl]-4-hydroxyphenyl]ethenyl]-3-[[bis(carboxymethyl)amino]methyl]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]acetic acid IUPAC Name: 2-[[5-[(E)-2-[3,5-bis[[bis(carboxymethyl)amino]methyl]-4-hydroxyphenyl]ethenyl]-3-[[bis(carboxymethyl)amino]methyl]-2-hydroxyphenyl]methyl-(carboxymethyl)amino]acetic acid Traditional Name: 2-[[5-[(E)-2-[3,5-bis[[bis(carboxymethyl)amino]methyl]-4-hydroxy-phenyl]vinyl]-3-[[bis(carboxymethyl)amino]methyl]-2-hydroxy-benzyl]-(carboxymethyl)amino]acetic acid Formula: C34H40N4O18 MolecularWeight: 792.6974

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C=C(C(=C1CN(CC(=O)O)CC(=O)O)O)CN(CC(=O)O)CC(=O)O)C=CC2=CC(=C(C(=C2)CN(CC(=O)O)CC(=O)O)O)CN(CC(=O)O)CC(=O)O

Isomeric SMILES

C1=C(C=C(C(=C1CN(CC(=O)O)CC(=O)O)O)CN(CC(=O)O)CC(=O)O)/C=C/C2=CC(=C(C(=C2)CN(CC(=O)O)CC(=O)O)O)CN(CC(=O)O)CC(=O)O

InChI

InChI=1S/C34H40N4O18/c39-25(40)11-35(12-26(41)42)7-21-3-19(4-22(33(21)55)8-36(13-27(43)44)14-28(45)46)1-2-20-5-23(9-37(15-29(47)48)16-30(49)50)34(56)24(6-20)10-38(17-31(51)52)18-32(53)54/h1-6,55-56H,7-18H2,(H,39,40)(H,41,42)(H,43,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52)(H,53,54)/b2-1+