3-[[9-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]phenyl]amino]-9-oxidanylidene-nonanoyl]amino]-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]benzoic acid

Systemtic Name: 3-[[9-[[3-carboxy-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]phenyl]amino]-9-oxidanylidene-nonanoyl]amino]-2,4,6-tris(iodanyl)-5-[(propanoylamino)methyl]benzoic acid Openeye Name: 3-[[9-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-9-oxo-nonanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid CAS Name: 3-[[9-[3-carboxy-2,4,6-triiodo-5-[(1-oxopropylamino)methyl]anilino]-1,9-dioxononyl]amino]-2,4,6-triiodo-5-[(1-oxopropylamino)methyl]benzoic acid IUPAC Name: 3-[[9-[3-carboxy-2,4,6-triiodo-5-[(propanoylamino)methyl]anilino]-9-oxononanoyl]amino]-2,4,6-triiodo-5-[(propanoylamino)methyl]benzoic acid Traditional Name: 3-[[9-[3-carboxy-2,4,6-triiodo-5-(propionamidomethyl)anilino]-9-keto-nonanoyl]amino]-2,4,6-triiodo-5-(propionamidomethyl)benzoic acid Formula: C31H34I6N4O8 MolecularWeight: 1352.05048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C31H34I6N4O8/c1-3-16(42)38-12-14-22(32)20(30(46)47)26(36)28(24(14)34)40-18(44)10-8-6-5-7-9-11-19(45)41-29-25(35)15(13-39-17(43)4-2)23(33)21(27(29)37)31(48)49/h3-13H2,1-2H3,(H,38,42)(H,39,43)(H,40,44)(H,41,45)(H,46,47)(H,48,49)