dilithium 3-[(10-phenylacridin-9-ylidene)-(3-sulfonatopropylsulfanyl)methyl]sulfanylpropane-1-sulfonate

Systemtic Name: dilithium 3-[(10-phenylacridin-9-ylidene)-(3-sulfonatopropylsulfanyl)methyl]sulfanylpropane-1-sulfonate Openeye Name: dilithium 3-[(10-phenylacridin-9-ylidene)-(3-sulfonatopropylsulfanyl)methyl]sulfanylpropane-1-sulfonate CAS Name: dilithium 3-[[(10-phenyl-9-acridinylidene)-(3-sulfonatopropylthio)methyl]thio]-1-propanesulfonate IUPAC Name: dilithium 3-[(10-phenylacridin-9-ylidene)-(3-sulfonatopropylsulfanyl)methyl]sulfanylpropane-1-sulfonate Traditional Name: dilithium 3-[[(10-phenylacridin-9-ylidene)-(3-sulfonatopropylthio)methyl]thio]propane-1-sulfonate Formula: C26H25Li2NO6S4 MolecularWeight: 589.6218

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].[Li+].C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(SCCCS(=O)(=O)[O-])SCCCS(=O)(=O)[O-])C4=CC=CC=C42

Isomeric SMILES

[Li+].[Li+].C1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(SCCCS(=O)(=O)[O-])SCCCS(=O)(=O)[O-])C4=CC=CC=C42

InChI

InChI=1S/C26H27NO6S4.2Li/c28-36(29,30)18-8-16-34-26(35-17-9-19-37(31,32)33)25-21-12-4-6-14-23(21)27(20-10-2-1-3-11-20)24-15-7-5-13-22(24)25;;/h1-7,10-15H,8-9,16-19H2,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2