disodium [(E)-(3-chloranyl-10-methyl-acridin-9-ylidene)-(2,6-dimethylphenoxy)methyl] phosphate

Systemtic Name: disodium [(E)-(3-chloranyl-10-methyl-acridin-9-ylidene)-(2,6-dimethylphenoxy)methyl] phosphate Openeye Name: disodium [(E)-(3-chloro-10-methyl-acridin-9-ylidene)-(2,6-dimethylphenoxy)methyl] phosphate CAS Name: disodium [(E)-(3-chloro-10-methyl-9-acridinylidene)-(2,6-dimethylphenoxy)methyl] phosphate IUPAC Name: disodium [(E)-(3-chloro-10-methylacridin-9-ylidene)-(2,6-dimethylphenoxy)methyl] phosphate Traditional Name: disodium [(E)-(3-chloro-10-methyl-acridin-9-ylidene)-(2,6-dimethylphenoxy)methyl] phosphate Formula: C23H19ClNNa2O5P MolecularWeight: 501.806961

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=C2C3=C(C=C(C=C3)Cl)N(C4=CC=CC=C42)C)OP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CC1=C(C(=CC=C1)C)O/C(=C/2\C3=C(C=C(C=C3)Cl)N(C4=CC=CC=C42)C)/OP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C23H21ClNO5P.2Na/c1-14-7-6-8-15(2)22(14)29-23(30-31(26,27)28)21-17-9-4-5-10-19(17)25(3)20-13-16(24)11-12-18(20)21;;/h4-13H,1-3H3,(H2,26,27,28);;/q;2*+1/p-2/b23-21+;;