disodium [9-(4-carboxy-2,6-dimethyl-phenoxy)carbonyl-7-methoxy-10-methyl-acridin-10-ium-2-yl] phosphate

Systemtic Name: disodium [9-(4-carboxy-2,6-dimethyl-phenoxy)carbonyl-7-methoxy-10-methyl-acridin-10-ium-2-yl] phosphate Openeye Name: disodium [9-(4-carboxy-2,6-dimethyl-phenoxy)carbonyl-7-methoxy-10-methyl-acridin-10-ium-2-yl] phosphate CAS Name: disodium [9-[(4-carboxy-2,6-dimethylphenoxy)-oxomethyl]-7-methoxy-10-methyl-2-acridin-10-iumyl] phosphate IUPAC Name: disodium [9-(4-carboxy-2,6-dimethylphenoxy)carbonyl-7-methoxy-10-methylacridin-10-ium-2-yl] phosphate Traditional Name: disodium [9-(4-carboxy-2,6-dimethyl-phenoxy)carbonyl-7-methoxy-10-methyl-acridin-10-ium-2-yl] phosphate Formula: C25H21NNa2O9P+ MolecularWeight: 556.388841

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=C2C=C(C=C4)OP(=O)([O-])[O-])C)OC)C)C(=O)O.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=C2C=C(C=C4)OP(=O)([O-])[O-])C)OC)C)C(=O)O.[Na+].[Na+]

InChI

InChI=1S/C25H22NO9P.2Na/c1-13-9-15(24(27)28)10-14(2)23(13)34-25(29)22-18-11-16(33-4)5-7-20(18)26(3)21-8-6-17(12-19(21)22)35-36(30,31)32;;/h5-12H,1-4H3,(H2-,27,28,30,31,32);;/q;2*+1/p-1