disodium 11-[methylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylundecyl phosphate

Systemtic Name: disodium 11-[methylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylundecyl phosphate Openeye Name: disodium 11-[methylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylundecyl phosphate CAS Name: disodium 11-[[(methylthio)-(10-phenyl-9-acridinylidene)methyl]thio]undecyl phosphate IUPAC Name: disodium 11-[methylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylundecyl phosphate Traditional Name: disodium 11-[[(methylthio)-(10-phenylacridin-9-ylidene)methyl]thio]undecyl phosphate Formula: C32H38NNa2O4PS2 MolecularWeight: 641.731721

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=CC=C4)SCCCCCCCCCCCOP(=O)([O-])[O-].[Na+].[Na+]

Isomeric SMILES

CSC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC=CC=C4)SCCCCCCCCCCCOP(=O)([O-])[O-].[Na+].[Na+]

InChI

InChI=1S/C32H40NO4PS2.2Na/c1-39-32(40-25-17-8-6-4-2-3-5-7-16-24-37-38(34,35)36)31-27-20-12-14-22-29(27)33(26-18-10-9-11-19-26)30-23-15-13-21-28(30)31;;/h9-15,18-23H,2-8,16-17,24-25H2,1H3,(H2,34,35,36);;/q;2*+1/p-2