disodium 3-[(10-phenylacridin-9-ylidene)-undecylsulfanyl-methyl]sulfanylpropyl phosphate

Systemtic Name: disodium 3-[(10-phenylacridin-9-ylidene)-undecylsulfanyl-methyl]sulfanylpropyl phosphate Openeye Name: disodium 3-[(10-phenylacridin-9-ylidene)-undecylsulfanyl-methyl]sulfanylpropyl phosphate CAS Name: disodium 3-[[(10-phenyl-9-acridinylidene)-(undecylthio)methyl]thio]propyl phosphate IUPAC Name: disodium 3-[(10-phenylacridin-9-ylidene)-undecylsulfanylmethyl]sulfanylpropyl phosphate Traditional Name: disodium 3-[[(10-phenylacridin-9-ylidene)-(undecylthio)methyl]thio]propyl phosphate Formula: C34H42NNa2O4PS2 MolecularWeight: 669.784881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H44NO4PS2.2Na/c1-2-3-4-5-6-7-8-9-17-26-41-34(42-27-18-25-39-40(36,37)38)33-29-21-13-15-23-31(29)35(28-19-11-10-12-20-28)32-24-16-14-22-30(32)33;;/h10-16,19-24H,2-9,17-18,25-27H2,1H3,(H2,36,37,38);;/q;2*+1/p-2