O6-[2-[[9,10-bis(oxidanylidene)-4-[1-[6-oxidanylidene-6-[2-[2-(2-oxidanylpropanoyloxy)ethoxy]ethoxy]hexanoyl]oxybutan-2-ylamino]anthracen-1-yl]amino]butyl] O1-[2-[2-(2-oxidanylpropanoyloxy)ethoxy]ethyl] hexanedioate

Systemtic Name: O6-[2-[[9,10-bis(oxidanylidene)-4-[1-[6-oxidanylidene-6-[2-[2-(2-oxidanylpropanoyloxy)ethoxy]ethoxy]hexanoyl]oxybutan-2-ylamino]anthracen-1-yl]amino]butyl] O1-[2-[2-(2-oxidanylpropanoyloxy)ethoxy]ethyl] hexanedioate Openeye Name: O6-[2-[[4-[1-[[6-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethoxy]-6-oxo-hexanoyl]oxymethyl]propylamino]-9,10-dioxo-1-anthryl]amino]butyl] O1-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] hexanedioate CAS Name: hexanedioic acid O6-[2-[[4-[1-[6-[2-[2-(2-hydroxy-1-oxopropoxy)ethoxy]ethoxy]-1,6-dioxohexoxy]butan-2-ylamino]-9,10-dioxo-1-anthracenyl]amino]butyl] ester O1-[2-[2-(2-hydroxy-1-oxopropoxy)ethoxy]ethyl] ester IUPAC Name: 6-O-[2-[[4-[1-[6-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethoxy]-6-oxohexanoyl]oxybutan-2-ylamino]-9,10-dioxoanthracen-1-yl]amino]butyl] 1-O-[2-[2-(2-hydroxypropanoyloxy)ethoxy]ethyl] hexanedioate Traditional Name: adipic acid O6-[2-[[9,10-diketo-4-[1-[[6-keto-6-[2-(2-lactoyloxyethoxy)ethoxy]hexanoyl]oxymethyl]propylamino]-1-anthryl]amino]butyl] ester O1-[2-(2-lactoyloxyethoxy)ethyl] ester Formula: C48H66N2O18 MolecularWeight: 959.04024

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Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)CCCCC(=O)OCCOCCOC(=O)C(C)O)NC1=C2C(=C(C=C1)NC(CC)COC(=O)CCCCC(=O)OCCOCCOC(=O)C(C)O)C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC(COC(=O)CCCCC(=O)OCCOCCOC(=O)C(C)O)NC1=C2C(=C(C=C1)NC(CC)COC(=O)CCCCC(=O)OCCOCCOC(=O)C(C)O)C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C48H66N2O18/c1-5-33(29-67-41(55)17-11-9-15-39(53)63-25-21-61-23-27-65-47(59)31(3)51)49-37-19-20-38(44-43(37)45(57)35-13-7-8-14-36(35)46(44)58)50-34(6-2)30-68-42(56)18-12-10-16-40(54)64-26-22-62-24-28-66-48(60)32(4)52/h7-8,13-14,19-20,31-34,49-52H,5-6,9-12,15-18,21-30H2,1-4H3