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

Systemtic Name: sodium 3-[3-[methylsulfanyl-[10-(phenylmethyl)acridin-9-ylidene]methyl]sulfanylpropoxy]propane-1-sulfonate Openeye Name: sodium 3-[3-[(10-benzylacridin-9-ylidene)-methylsulfanyl-methyl]sulfanylpropoxy]propane-1-sulfonate CAS Name: sodium 3-[3-[[(methylthio)-[10-(phenylmethyl)-9-acridinylidene]methyl]thio]propoxy]-1-propanesulfonate IUPAC Name: sodium 3-[3-[(10-benzylacridin-9-ylidene)-methylsulfanylmethyl]sulfanylpropoxy]propane-1-sulfonate Traditional Name: sodium 3-[3-[[(10-benzylacridin-9-ylidene)-(methylthio)methyl]thio]propoxy]propane-1-sulfonate Formula: C28H30NNaO4S3 MolecularWeight: 563.72687

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)CC4=CC=CC=C4)SCCCOCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CSC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)CC4=CC=CC=C4)SCCCOCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H31NO4S3.Na/c1-34-28(35-19-9-17-33-18-10-20-36(30,31)32)27-23-13-5-7-15-25(23)29(21-22-11-3-2-4-12-22)26-16-8-6-14-24(26)27;/h2-8,11-16H,9-10,17-21H2,1H3,(H,30,31,32);/q;+1/p-1