[6'-[bis[1-(4,5-dimethoxy-2-nitro-phenyl)ethoxy]phosphoryloxy]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl] bis[1-(4,5-dimethoxy-2-nitro-phenyl)ethyl] phosphate

Systemtic Name: [6'-[bis[1-(4,5-dimethoxy-2-nitro-phenyl)ethoxy]phosphoryloxy]-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl] bis[1-(4,5-dimethoxy-2-nitro-phenyl)ethyl] phosphate Openeye Name: [6'-[bis[1-(4,5-dimethoxy-2-nitro-phenyl)ethoxy]phosphoryloxy]-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-3'-yl] bis[1-(4,5-dimethoxy-2-nitro-phenyl)ethyl] phosphate CAS Name: phosphoric acid [6'-[bis[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phosphoryloxy]-3-oxo-3'-spiro[isobenzofuran-1,9'-xanthene]yl] bis[1-(4,5-dimethoxy-2-nitrophenyl)ethyl] ester IUPAC Name: [6'-[bis[1-(4,5-dimethoxy-2-nitrophenyl)ethoxy]phosphoryloxy]-3-oxospiro[2-benzofuran-1,9'-xanthene]-3'-yl] bis[1-(4,5-dimethoxy-2-nitrophenyl)ethyl] phosphate Traditional Name: phosphoric acid [6'-[bis[1-(4,5-dimethoxy-2-nitro-phenyl)ethoxy]phosphoryloxy]-3-keto-spiro[phthalan-1,9'-xanthene]-3'-yl] bis[1-(4,5-dimethoxy-2-nitro-phenyl)ethyl] ester Formula: C60H58N4O27P2 MolecularWeight: 1329.060642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)OP(=O)(OC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)OP(=O)(OC(C)C6=CC(=C(C=C6[N+](=O)[O-])OC)OC)OC(C)C7=CC(=C(C=C7[N+](=O)[O-])OC)OC)C8=CC=CC=C8C(=O)O4)OC(C)C9=CC(=C(C=C9[N+](=O)[O-])OC)OC

Isomeric SMILES

CC(C1=CC(=C(C=C1[N+](=O)[O-])OC)OC)OP(=O)(OC2=CC3=C(C=C2)C4(C5=C(O3)C=C(C=C5)OP(=O)(OC(C)C6=CC(=C(C=C6[N+](=O)[O-])OC)OC)OC(C)C7=CC(=C(C=C7[N+](=O)[O-])OC)OC)C8=CC=CC=C8C(=O)O4)OC(C)C9=CC(=C(C=C9[N+](=O)[O-])OC)OC

InChI

InChI=1S/C60H58N4O27P2/c1-31(38-23-51(76-5)55(80-9)27-45(38)61(66)67)86-92(74,87-32(2)39-24-52(77-6)56(81-10)28-46(39)62(68)69)90-35-17-19-43-49(21-35)84-50-22-36(18-20-44(50)60(43)42-16-14-13-15-37(42)59(65)85-60)91-93(75,88-33(3)40-25-53(78-7)57(82-11)29-47(40)63(70)71)89-34(4)41-26-54(79-8)58(83-12)30-48(41)64(72)73/h13-34H,1-12H3