3-[3-[2-[2-[2-[3-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]benzoic acid

Systemtic Name: 3-[3-[2-[2-[2-[3-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]phenyl]amino]-3-oxidanylidene-propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]benzoic acid Openeye Name: 3-[3-[2-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-3-oxo-propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid CAS Name: 3-[[3-[2-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(1-oxopropylamino)methyl]anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]-1-oxopropyl]amino]-2,4,6-triiodo-5-[(1-oxopropylamino)methyl]benzoic acid IUPAC Name: 3-[3-[2-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid Traditional Name: 3-[3-[2-[2-[2-[3-[3-carboxy-2,4,6-triiodo-5-(propionamidomethyl)anilino]-3-keto-propoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-2,4,6-triiodo-5-(propionamidomethyl)benzoic acid Formula: C34H40I6N4O12 MolecularWeight: 1458.12782

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)CNC(=O)CC)I)C(=O)O)I)I

Isomeric SMILES

CCC(=O)NCC1=C(C(=C(C(=C1I)C(=O)O)I)NC(=O)CCOCCOCCOCCOCCC(=O)NC2=C(C(=C(C(=C2I)CNC(=O)CC)I)C(=O)O)I)I

InChI

InChI=1S/C34H40I6N4O12/c1-3-19(45)41-15-17-25(35)23(33(49)50)29(39)31(27(17)37)43-21(47)5-7-53-9-11-55-13-14-56-12-10-54-8-6-22(48)44-32-28(38)18(16-42-20(46)4-2)26(36)24(30(32)40)34(51)52/h3-16H2,1-2H3,(H,41,45)(H,42,46)(H,43,47)(H,44,48)(H,49,50)(H,51,52)