[5-[5-[3-[6-[[2',7'-bis(oxidanyl)-1-oxidanylidene-spiro[2-benzofuran-3,10'-9H-anthracene]-5-yl]carbonylamino]hexanoylamino]propylamino]-3-oxidanylidene-1,2,4-triazin-2-yl]-3,4-bis(oxidanyl)oxolan-2-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate

Systemtic Name: [5-[5-[3-[6-[[2',7'-bis(oxidanyl)-1-oxidanylidene-spiro[2-benzofuran-3,10'-9H-anthracene]-5-yl]carbonylamino]hexanoylamino]propylamino]-3-oxidanylidene-1,2,4-triazin-2-yl]-3,4-bis(oxidanyl)oxolan-2-yl] [oxidanyl(phosphonooxy)phosphoryl] hydrogen phosphate Openeye Name: [5-[5-[3-[6-[(2,7-dihydroxy-1'-oxo-spiro[9H-anthracene-10,3'-isobenzofuran]-5'-carbonyl)amino]hexanoylamino]propylamino]-3-oxo-1,2,4-triazin-2-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate CAS Name: [5-[5-[3-[[6-[[(2,7-dihydroxy-1'-oxo-5'-spiro[9H-anthracene-10,3'-isobenzofuran]yl)-oxomethyl]amino]-1-oxohexyl]amino]propylamino]-3-oxo-1,2,4-triazin-2-yl]-3,4-dihydroxy-2-oxolanyl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate IUPAC Name: [5-[5-[3-[6-[(2',7'-dihydroxy-1-oxospiro[2-benzofuran-3,10'-9H-anthracene]-5-carbonyl)amino]hexanoylamino]propylamino]-3-oxo-1,2,4-triazin-2-yl]-3,4-dihydroxyoxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Traditional Name: [5-[5-[3-[6-[(2,7-dihydroxy-1'-keto-spiro[9H-anthracene-10,3'-phthalan]-5'-carbonyl)amino]hexanoylamino]propylamino]-3-keto-1,2,4-triazin-2-yl]-3,4-dihydroxy-tetrahydrofuran-2-yl] [hydroxy(phosphonooxy)phosphoryl] hydrogen phosphate Formula: C38H43N6O20P3 MolecularWeight: 996.697503

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=CC(=C2)O)C3(C4=C1C=C(C=C4)O)C5=C(C=CC(=C5)C(=O)NCCCCCC(=O)NCCCNC6=NC(=O)N(N=C6)C7C(C(C(O7)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)O3

Isomeric SMILES

C1C2=C(C=CC(=C2)O)C3(C4=C1C=C(C=C4)O)C5=C(C=CC(=C5)C(=O)NCCCCCC(=O)NCCCNC6=NC(=O)N(N=C6)C7C(C(C(O7)OP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)C(=O)O3

InChI

InChI=1S/C38H43N6O20P3/c45-23-7-10-26-21(16-23)15-22-17-24(46)8-11-27(22)38(26)28-18-20(6-9-25(28)35(51)61-38)33(50)41-12-3-1-2-5-30(47)40-14-4-13-39-29-19-42-44(37(52)43-29)34-31(48)32(49)36(60-34)62-66(56,57)64-67(58,59)63-65(53,54)55/h6-11,16-19,31-32,34,36,45-46,48-49H,1-5,12-15H2,(H,40,47)(H,41,50)(H,56,57)(H,58,59)(H,39,43,52)(H2,53,54,55)