sodium 3-[methylsulfanyl-(10-naphthalen-2-ylacridin-9-ylidene)methyl]sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-[methylsulfanyl-(10-naphthalen-2-ylacridin-9-ylidene)methyl]sulfanylpropane-1-sulfonate Openeye Name: sodium 3-[methylsulfanyl-[10-(2-naphthyl)acridin-9-ylidene]methyl]sulfanylpropane-1-sulfonate CAS Name: sodium 3-[[(methylthio)-[10-(2-naphthalenyl)-9-acridinylidene]methyl]thio]-1-propanesulfonate IUPAC Name: sodium 3-[methylsulfanyl-(10-naphthalen-2-ylacridin-9-ylidene)methyl]sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[[(methylthio)-[10-(2-naphthyl)acridin-9-ylidene]methyl]thio]propane-1-sulfonate Formula: C28H24NNaO3S3 MolecularWeight: 541.67983

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC5=CC=CC=C5C=C4)SCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CSC(=C1C2=CC=CC=C2N(C3=CC=CC=C31)C4=CC5=CC=CC=C5C=C4)SCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C28H25NO3S3.Na/c1-33-28(34-17-8-18-35(30,31)32)27-23-11-4-6-13-25(23)29(26-14-7-5-12-24(26)27)22-16-15-20-9-2-3-10-21(20)19-22;/h2-7,9-16,19H,8,17-18H2,1H3,(H,30,31,32);/q;+1/p-1