bis[6-[9-(diethylamino)-5-oxidanylidene-benzo[a]phenoxazin-2-yl]oxyhexanoyl] butanedioate

Systemtic Name: bis[6-[9-(diethylamino)-5-oxidanylidene-benzo[a]phenoxazin-2-yl]oxyhexanoyl] butanedioate Openeye Name: bis[6-[9-(diethylamino)-5-oxo-benzo[a]phenoxazin-2-yl]oxyhexanoyl] butanedioate CAS Name: butanedioic acid bis[6-[[9-(diethylamino)-5-oxo-2-benzo[a]phenoxazinyl]oxy]-1-oxohexyl] ester IUPAC Name: bis[6-[9-(diethylamino)-5-oxobenzo[a]phenoxazin-2-yl]oxyhexanoyl] butanedioate Traditional Name: succinic acid bis[6-[9-(diethylamino)-5-keto-benzo[a]phenoxazin-2-yl]oxyhexanoyl] ester Formula: C56H58N4O12 MolecularWeight: 979.07932

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=C(C=C4)OCCCCCC(=O)OC(=O)CCC(=O)OC(=O)CCCCCOC5=CC6=C(C=C5)C(=O)C=C7C6=NC8=C(O7)C=C(C=C8)N(CC)CC)O2

Isomeric SMILES

CCN(CC)C1=CC2=C(C=C1)N=C3C(=CC(=O)C4=C3C=C(C=C4)OCCCCCC(=O)OC(=O)CCC(=O)OC(=O)CCCCCOC5=CC6=C(C=C5)C(=O)C=C7C6=NC8=C(O7)C=C(C=C8)N(CC)CC)O2

InChI

InChI=1S/C56H58N4O12/c1-5-59(6-2)35-17-23-43-47(29-35)69-49-33-45(61)39-21-19-37(31-41(39)55(49)57-43)67-27-13-9-11-15-51(63)71-53(65)25-26-54(66)72-52(64)16-12-10-14-28-68-38-20-22-40-42(32-38)56-50(34-46(40)62)70-48-30-36(60(7-3)8-4)18-24-44(48)58-56/h17-24,29-34H,5-16,25-28H2,1-4H3