1,2-bis[[12-[(6-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methoxy]-12-oxidanylidene-dodecyl]carbamoyloxy]ethyl-trimethyl-azanium

Systemtic Name: 1,2-bis[[12-[(6-bromanyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methoxy]-12-oxidanylidene-dodecyl]carbamoyloxy]ethyl-trimethyl-azanium Openeye Name: 1,2-bis[[12-[(6-bromo-7-hydroxy-2-oxo-chromen-4-yl)methoxy]-12-oxo-dodecyl]carbamoyloxy]ethyl-trimethyl-ammonium CAS Name: 1,2-bis[[[12-[(6-bromo-7-hydroxy-2-oxo-1-benzopyran-4-yl)methoxy]-12-oxododecyl]amino]-oxomethoxy]ethyl-trimethylammonium IUPAC Name: 1,2-bis[[12-[(6-bromo-7-hydroxy-2-oxochromen-4-yl)methoxy]-12-oxododecyl]carbamoyloxy]ethyl-trimethylazanium Traditional Name: 1,2-bis[[12-[(6-bromo-7-hydroxy-2-keto-chromen-4-yl)methoxy]-12-keto-dodecyl]carbamoyloxy]ethyl-trimethyl-ammonium Formula: C51H70Br2N3O14+ MolecularWeight: 1108.9212

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)C(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)C(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/C51H69Br2N3O14/c1-56(2,3)45(70-51(64)55-25-21-17-13-9-5-7-11-15-19-23-47(60)66-33-36-27-49(62)69-44-31-42(58)40(53)29-38(36)44)34-67-50(63)54-24-20-16-12-8-4-6-10-14-18-22-46(59)65-32-35-26-48(61)68-43-30-41(57)39(52)28-37(35)43/h26-31,45H,4-25,32-34H2,1-3H3,(H3-,54,55,57,58,61,62,63,64)/p+1