2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylamino]ethyl]amino]ethyl]amino]ethyl-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]azanium

Systemtic Name: 2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylamino]ethyl]amino]ethyl]amino]ethyl-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]azanium Openeye Name: tris(2-tert-butoxy-2-oxo-ethyl)-[2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylamino]ethyl]amino]ethyl]amino]ethyl]ammonium CAS Name: 2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylamino]ethyl]amino]ethyl]amino]ethyl-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]ammonium IUPAC Name: 2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methyl-[2-[(2-hydroxyphenyl)methylamino]ethyl]amino]ethyl]amino]ethyl-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]azanium Traditional Name: tris(2-tert-butoxy-2-keto-ethyl)-[2-[salicyl-[2-[salicyl-[2-(salicylamino)ethyl]amino]ethyl]amino]ethyl]ammonium Formula: C45H67N4O9+ MolecularWeight: 808.03488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C[N+](CCN(CCN(CCNCC1=CC=CC=C1O)CC2=CC=CC=C2O)CC3=CC=CC=C3O)(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)C[N+](CCN(CCN(CCNCC1=CC=CC=C1O)CC2=CC=CC=C2O)CC3=CC=CC=C3O)(CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C45H66N4O9/c1-43(2,3)56-40(53)31-49(32-41(54)57-44(4,5)6,33-42(55)58-45(7,8)9)27-26-48(30-36-18-12-15-21-39(36)52)25-24-47(29-35-17-11-14-20-38(35)51)23-22-46-28-34-16-10-13-19-37(34)50/h10-21,46H,22-33H2,1-9H3,(H2-,50,51,52)/p+1