3-[[[3-carboxy-5-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]-prop-2-enoyl-sulfamoyl]-prop-2-enoyl-amino]-5-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)benzoic acid

Systemtic Name: 3-[[[3-carboxy-5-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)phenyl]-prop-2-enoyl-sulfamoyl]-prop-2-enoyl-amino]-5-[ethanoyl(ethyl)amino]-2,4,6-tris(iodanyl)benzoic acid Openeye Name: 3-[acetyl(ethyl)amino]-5-[[[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodo-phenyl]-prop-2-enoyl-sulfamoyl]-prop-2-enoyl-amino]-2,4,6-triiodo-benzoic acid CAS Name: 3-[acetyl(ethyl)amino]-5-[[[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodophenyl]-(1-oxoprop-2-enyl)sulfamoyl]-(1-oxoprop-2-enyl)amino]-2,4,6-triiodobenzoic acid IUPAC Name: 3-[acetyl(ethyl)amino]-5-[[[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodophenyl]-prop-2-enoylsulfamoyl]-prop-2-enoylamino]-2,4,6-triiodobenzoic acid Traditional Name: 3-[acetyl(ethyl)amino]-5-[[[3-[acetyl(ethyl)amino]-5-carboxy-2,4,6-triiodo-phenyl]-acryloyl-sulfamoyl]-acryloyl-amino]-2,4,6-triiodo-benzoic acid Formula: C28H24I6N4O10S MolecularWeight: 1370.00278

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=C(C(=C(C(=C1I)N(C(=O)C=C)S(=O)(=O)N(C2=C(C(=C(C(=C2I)C(=O)O)I)N(CC)C(=O)C)I)C(=O)C=C)I)C(=O)O)I)C(=O)C

Isomeric SMILES

CCN(C1=C(C(=C(C(=C1I)N(C(=O)C=C)S(=O)(=O)N(C2=C(C(=C(C(=C2I)C(=O)O)I)N(CC)C(=O)C)I)C(=O)C=C)I)C(=O)O)I)C(=O)C

InChI

InChI=1S/C28H24I6N4O10S/c1-7-13(41)37(25-19(31)15(27(43)44)17(29)23(21(25)33)35(9-3)11(5)39)49(47,48)38(14(42)8-2)26-20(32)16(28(45)46)18(30)24(22(26)34)36(10-4)12(6)40/h7-8H,1-2,9-10H2,3-6H3,(H,43,44)(H,45,46)