dilithium 3-[(10-methylacridin-9-ylidene)-(3-sulfinatooxypropylsulfanyl)methyl]sulfanylpropane-1-sulfonate

Systemtic Name: dilithium 3-[(10-methylacridin-9-ylidene)-(3-sulfinatooxypropylsulfanyl)methyl]sulfanylpropane-1-sulfonate Openeye Name: dilithium 3-[(10-methylacridin-9-ylidene)-(3-sulfinatooxypropylsulfanyl)methyl]sulfanylpropane-1-sulfonate CAS Name: dilithium 3-[[(10-methyl-9-acridinylidene)-(3-sulfinatooxypropylthio)methyl]thio]-1-propanesulfonate IUPAC Name: dilithium 3-[(10-methylacridin-9-ylidene)-(3-sulfinatooxypropylsulfanyl)methyl]sulfanylpropane-1-sulfonate Traditional Name: dilithium 3-[[(10-methylacridin-9-ylidene)-(3-sulfinatooxypropylthio)methyl]thio]propane-1-sulfonate Formula: C21H23Li2NO6S4 MolecularWeight: 527.55242

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].CN1C2=CC=CC=C2C(=C(SCCCO[S-](=O)=O)SCCCS(=O)(=O)[O-])C3=CC=CC=C31

Isomeric SMILES

[Li+].[Li+].CN1C2=CC=CC=C2C(=C(SCCCO[S-](=O)=O)SCCCS(=O)(=O)[O-])C3=CC=CC=C31

InChI

InChI=1S/C21H24NO6S4.2Li/c1-22-18-10-4-2-8-16(18)20(17-9-3-5-11-19(17)22)21(29-13-6-12-28-31(23)24)30-14-7-15-32(25,26)27;;/h2-5,8-11H,6-7,12-15H2,1H3,(H,25,26,27);;/q-1;2*+1/p-1