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

Systemtic Name: sodium 3-[methylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylpropane-1-sulfonate Openeye Name: sodium 3-[methylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylpropane-1-sulfonate CAS Name: sodium 3-[[(methylthio)-(10-phenyl-9-acridinylidene)methyl]thio]-1-propanesulfonate IUPAC Name: sodium 3-[methylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[[(methylthio)-(10-phenylacridin-9-ylidene)methyl]thio]propane-1-sulfonate Formula: C24H22NNaO3S3 MolecularWeight: 491.62115

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23NO3S3.Na/c1-29-24(30-16-9-17-31(26,27)28)23-19-12-5-7-14-21(19)25(18-10-3-2-4-11-18)22-15-8-6-13-20(22)23;/h2-8,10-15H,9,16-17H2,1H3,(H,26,27,28);/q;+1/p-1