[(3aS,5R)-1,2,3,3a,4,5,10,11-octahydronaphtho[1,2-g]indolizin-5-yl]methyl [2,5-bis(chloranyl)phenyl] [4-[3-(2,4-dinitrophenyl)sulfanylpropanoylamino]phenyl] phosphate

Systemtic Name: [(3aS,5R)-1,2,3,3a,4,5,10,11-octahydronaphtho[1,2-g]indolizin-5-yl]methyl [2,5-bis(chloranyl)phenyl] [4-[3-(2,4-dinitrophenyl)sulfanylpropanoylamino]phenyl] phosphate Openeye Name: [(3aS,5R)-1,2,3,3a,4,5,10,11-octahydronaphtho[1,2-g]indolizin-5-yl]methyl (2,5-dichlorophenyl) [4-[3-(2,4-dinitrophenyl)sulfanylpropanoylamino]phenyl] phosphate CAS Name: phosphoric acid [(3aS,5R)-1,2,3,3a,4,5,10,11-octahydronaphtho[1,2-g]indolizin-5-yl]methyl (2,5-dichlorophenyl) [4-[[3-[(2,4-dinitrophenyl)thio]-1-oxopropyl]amino]phenyl] ester IUPAC Name: [(3aS,5R)-1,2,3,3a,4,5,10,11-octahydronaphtho[1,2-g]indolizin-5-yl]methyl (2,5-dichlorophenyl) [4-[3-(2,4-dinitrophenyl)sulfanylpropanoylamino]phenyl] phosphate Traditional Name: phosphoric acid [(3aS,5R)-1,2,3,3a,4,5,10,11-octahydronaphth[1,2-g]indolizin-5-yl]methyl (2,5-dichlorophenyl) [4-[3-[(2,4-dinitrophenyl)thio]propanoylamino]phenyl] ester Formula: C38H35Cl2N4O9PS MolecularWeight: 825.650661

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2C3=C(CCN2C1)C4=CC=CC=C4C(C3)COP(=O)(OC5=CC=C(C=C5)NC(=O)CCSC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])OC7=C(C=CC(=C7)Cl)Cl

Isomeric SMILES

C1C[C@H]2C3=C(CCN2C1)C4=CC=CC=C4[C@@H](C3)COP(=O)(OC5=CC=C(C=C5)NC(=O)CCSC6=C(C=C(C=C6)[N+](=O)[O-])[N+](=O)[O-])OC7=C(C=CC(=C7)Cl)Cl

InChI

InChI=1S/C38H35Cl2N4O9PS/c39-25-7-13-33(40)36(21-25)53-54(50,51-23-24-20-32-31(30-5-2-1-4-29(24)30)15-18-42-17-3-6-34(32)42)52-28-11-8-26(9-12-28)41-38(45)16-19-55-37-14-10-27(43(46)47)22-35(37)44(48)49/h1-2,4-5,7-14,21-22,24,34H,3,6,15-20,23H2,(H,41,45)/t24-,34-,54?/m0/s1