sodium 3-[[10-[(4-chlorophenyl)methyl]acridin-9-ylidene]-methylsulfanyl-methyl]sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-[[10-[(4-chlorophenyl)methyl]acridin-9-ylidene]-methylsulfanyl-methyl]sulfanylpropane-1-sulfonate Openeye Name: sodium 3-[[10-[(4-chlorophenyl)methyl]acridin-9-ylidene]-methylsulfanyl-methyl]sulfanylpropane-1-sulfonate CAS Name: sodium 3-[[[10-[(4-chlorophenyl)methyl]-9-acridinylidene]-(methylthio)methyl]thio]-1-propanesulfonate IUPAC Name: sodium 3-[[10-[(4-chlorophenyl)methyl]acridin-9-ylidene]-methylsulfanylmethyl]sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[[[10-(4-chlorobenzyl)acridin-9-ylidene]-(methylthio)methyl]thio]propane-1-sulfonate Formula: C25H23ClNNaO3S3 MolecularWeight: 540.09279

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24ClNO3S3.Na/c1-31-25(32-15-6-16-33(28,29)30)24-20-7-2-4-9-22(20)27(23-10-5-3-8-21(23)24)17-18-11-13-19(26)14-12-18;/h2-5,7-14H,6,15-17H2,1H3,(H,28,29,30);/q;+1/p-1