O4-[1,3-bis[3-[3-azanyl-2,4,6-tris(iodanyl)phenyl]propanoyloxy]propan-2-yl] O1-[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanedioate

Systemtic Name: O4-[1,3-bis[3-[3-azanyl-2,4,6-tris(iodanyl)phenyl]propanoyloxy]propan-2-yl] O1-[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanedioate Openeye Name: O4-[2-[3-(3-amino-2,4,6-triiodo-phenyl)propanoyloxy]-1-[3-(3-amino-2,4,6-triiodo-phenyl)propanoyloxymethyl]ethyl] O1-[(3S,10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanedioate CAS Name: butanedioic acid O4-[1,3-bis[3-(3-amino-2,4,6-triiodophenyl)-1-oxopropoxy]propan-2-yl] ester O1-[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester IUPAC Name: 4-O-[1,3-bis[3-(3-amino-2,4,6-triiodophenyl)propanoyloxy]propan-2-yl] 1-O-[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] butanedioate Traditional Name: succinic acid O4-[2-[3-(3-amino-2,4,6-triiodo-phenyl)propanoyloxy]-1-[3-(3-amino-2,4,6-triiodo-phenyl)propanoyloxymethyl]ethyl] ester O1-[(3S,10R,13R,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] ester Formula: C52H68I6N2O8 MolecularWeight: 1610.53174

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)OC(COC(=O)CCC5=C(C(=C(C=C5I)I)N)I)COC(=O)CCC6=C(C(=C(C=C6I)I)N)I)C)C

Isomeric SMILES

C[C@H](CCCC(C)C)[C@H]1CCC2[C@@]1(CCC3C2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)OC(COC(=O)CCC5=C(C(=C(C=C5I)I)N)I)COC(=O)CCC6=C(C(=C(C=C6I)I)N)I)C)C

InChI

InChI=1S/C52H68I6N2O8/c1-28(2)7-6-8-29(3)36-13-14-37-33-10-9-30-23-31(19-21-51(30,4)38(33)20-22-52(36,37)5)67-45(63)17-18-46(64)68-32(26-65-43(61)15-11-34-39(53)24-41(55)49(59)47(34)57)27-66-44(62)16-12-35-40(54)25-42(56)50(60)48(35)58/h9,24-25,28-29,31-33,36-38H,6-8,10-23,26-27,59-60H2,1-5H3/t29-,31+,33?,36-,37?,38?,51+,52-/m1/s1