sodium 3-[[10-(4-methoxyphenyl)acridin-9-ylidene]-methylsulfanyl-methyl]sulfanylpropane-1-sulfonate

Systemtic Name: sodium 3-[[10-(4-methoxyphenyl)acridin-9-ylidene]-methylsulfanyl-methyl]sulfanylpropane-1-sulfonate Openeye Name: sodium 3-[[10-(4-methoxyphenyl)acridin-9-ylidene]-methylsulfanyl-methyl]sulfanylpropane-1-sulfonate CAS Name: sodium 3-[[[10-(4-methoxyphenyl)-9-acridinylidene]-(methylthio)methyl]thio]-1-propanesulfonate IUPAC Name: sodium 3-[[10-(4-methoxyphenyl)acridin-9-ylidene]-methylsulfanylmethyl]sulfanylpropane-1-sulfonate Traditional Name: sodium 3-[[[10-(4-methoxyphenyl)acridin-9-ylidene]-(methylthio)methyl]thio]propane-1-sulfonate Formula: C25H24NNaO4S3 MolecularWeight: 521.64713

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(SC)SCCCS(=O)(=O)[O-])C4=CC=CC=C42.[Na+]

Isomeric SMILES

COC1=CC=C(C=C1)N2C3=CC=CC=C3C(=C(SC)SCCCS(=O)(=O)[O-])C4=CC=CC=C42.[Na+]

InChI

InChI=1S/C25H25NO4S3.Na/c1-30-19-14-12-18(13-15-19)26-22-10-5-3-8-20(22)24(21-9-4-6-11-23(21)26)25(31-2)32-16-7-17-33(27,28)29;/h3-6,8-15H,7,16-17H2,1-2H3,(H,27,28,29);/q;+1/p-1