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

Systemtic Name: lithium 3-[(10-methylacridin-9-ylidene)-octylsulfanyl-methyl]sulfanylpropane-1-sulfonate Openeye Name: lithium 3-[(10-methylacridin-9-ylidene)-octylsulfanyl-methyl]sulfanylpropane-1-sulfonate CAS Name: lithium 3-[[(10-methyl-9-acridinylidene)-(octylthio)methyl]thio]-1-propanesulfonate IUPAC Name: lithium 3-[(10-methylacridin-9-ylidene)-octylsulfanylmethyl]sulfanylpropane-1-sulfonate Traditional Name: lithium 3-[[(10-methylacridin-9-ylidene)-(octylthio)methyl]thio]propane-1-sulfonate Formula: C26H34LiNO3S3 MolecularWeight: 511.68906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO3S3.Li/c1-3-4-5-6-7-12-18-31-26(32-19-13-20-33(28,29)30)25-21-14-8-10-16-23(21)27(2)24-17-11-9-15-22(24)25;/h8-11,14-17H,3-7,12-13,18-20H2,1-2H3,(H,28,29,30);/q;+1/p-1