sodium 3-[3-[methylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylpropoxy]propane-1-sulfonate

Systemtic Name: sodium 3-[3-[methylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylpropoxy]propane-1-sulfonate Openeye Name: sodium 3-[3-[methylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylpropoxy]propane-1-sulfonate CAS Name: sodium 3-[3-[[(methylthio)-(10-phenyl-9-acridinylidene)methyl]thio]propoxy]-1-propanesulfonate IUPAC Name: sodium 3-[3-[methylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylpropoxy]propane-1-sulfonate Traditional Name: sodium 3-[3-[[(methylthio)-(10-phenylacridin-9-ylidene)methyl]thio]propoxy]propane-1-sulfonate Formula: C27H28NNaO4S3 MolecularWeight: 549.70029

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO4S3.Na/c1-33-27(34-19-9-17-32-18-10-20-35(29,30)31)26-22-13-5-7-15-24(22)28(21-11-3-2-4-12-21)25-16-8-6-14-23(25)26;/h2-8,11-16H,9-10,17-20H2,1H3,(H,29,30,31);/q;+1/p-1