lithium 3-[octylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylpropane-1-sulfonate

Systemtic Name: lithium 3-[octylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylpropane-1-sulfonate Openeye Name: lithium 3-[octylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylpropane-1-sulfonate CAS Name: lithium 3-[[(octylthio)-(10-phenyl-9-acridinylidene)methyl]thio]-1-propanesulfonate IUPAC Name: lithium 3-[octylsulfanyl-(10-phenylacridin-9-ylidene)methyl]sulfanylpropane-1-sulfonate Traditional Name: lithium 3-[[(octylthio)-(10-phenylacridin-9-ylidene)methyl]thio]propane-1-sulfonate Formula: C31H36LiNO3S3 MolecularWeight: 573.75844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37NO3S3.Li/c1-2-3-4-5-6-14-22-36-31(37-23-15-24-38(33,34)35)30-26-18-10-12-20-28(26)32(25-16-8-7-9-17-25)29-21-13-11-19-27(29)30;/h7-13,16-21H,2-6,14-15,22-24H2,1H3,(H,33,34,35);/q;+1/p-1