sodium 3-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]propane-1-sulfonate

Systemtic Name: sodium 3-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]propane-1-sulfonate Openeye Name: sodium 3-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]propane-1-sulfonate CAS Name: sodium 3-[[2-(10-phenyl-9-acridinylidene)-1,3-dithian-5-yl]oxy]-1-propanesulfonate IUPAC Name: sodium 3-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]propane-1-sulfonate Traditional Name: sodium 3-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]propane-1-sulfonate Formula: C26H24NNaO4S3 MolecularWeight: 533.65783

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSC(=C2C3=CC=CC=C3N(C4=CC=CC=C42)C5=CC=CC=C5)S1)OCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C(CSC(=C2C3=CC=CC=C3N(C4=CC=CC=C42)C5=CC=CC=C5)S1)OCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C26H25NO4S3.Na/c28-34(29,30)16-8-15-31-20-17-32-26(33-18-20)25-21-11-4-6-13-23(21)27(19-9-2-1-3-10-19)24-14-7-5-12-22(24)25;/h1-7,9-14,20H,8,15-18H2,(H,28,29,30);/q;+1/p-1