2,3-bis[[12-[(6-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methoxy]-12-oxidanylidene-dodecyl]carbamoyloxy]propyl-trimethyl-azanium

Systemtic Name: 2,3-bis[[12-[(6-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methoxy]-12-oxidanylidene-dodecyl]carbamoyloxy]propyl-trimethyl-azanium Openeye Name: 2,3-bis[[12-[(6-bromo-7-hydroxy-2-oxo-chromen-4-yl)methoxy]-12-oxo-dodecyl]carbamoyloxy]propyl-trimethyl-ammonium CAS Name: 2,3-bis[[[12-[(6-bromo-7-hydroxy-2-oxo-1-benzopyran-4-yl)methoxy]-12-oxododecyl]amino]-oxomethoxy]propyl-trimethylammonium IUPAC Name: 2,3-bis[[12-[(6-bromo-7-hydroxy-2-oxochromen-4-yl)methoxy]-12-oxododecyl]carbamoyloxy]propyl-trimethylazanium Traditional Name: 2,3-bis[[12-[(6-bromo-7-hydroxy-2-keto-chromen-4-yl)methoxy]-12-keto-dodecyl]carbamoyloxy]propyl-trimethyl-ammonium Formula: C52H72Br2N3O14+ MolecularWeight: 1122.94778

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(COC(=O)NCCCCCCCCCCCC(=O)OCC1=CC(=O)OC2=CC(=C(C=C12)Br)O)OC(=O)NCCCCCCCCCCCC(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)Br)O

Isomeric SMILES

C[N+](C)(C)CC(COC(=O)NCCCCCCCCCCCC(=O)OCC1=CC(=O)OC2=CC(=C(C=C12)Br)O)OC(=O)NCCCCCCCCCCCC(=O)OCC3=CC(=O)OC4=CC(=C(C=C34)Br)O

InChI

InChI=1S/C52H71Br2N3O14/c1-57(2,3)32-38(69-52(65)56-25-21-17-13-9-5-7-11-15-19-23-48(61)67-34-37-27-50(63)71-46-31-44(59)42(54)29-40(37)46)35-68-51(64)55-24-20-16-12-8-4-6-10-14-18-22-47(60)66-33-36-26-49(62)70-45-30-43(58)41(53)28-39(36)45/h26-31,38H,4-25,32-35H2,1-3H3,(H3-,55,56,58,59,62,63,64,65)/p+1