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

Systemtic Name: sodium 3-[[2-[10-(phenylmethyl)acridin-9-ylidene]-1,3-dithian-5-yl]oxy]propane-1-sulfonate Openeye Name: sodium 3-[[2-(10-benzylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]propane-1-sulfonate CAS Name: sodium 3-[[2-[10-(phenylmethyl)-9-acridinylidene]-1,3-dithian-5-yl]oxy]-1-propanesulfonate IUPAC Name: sodium 3-[[2-(10-benzylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]propane-1-sulfonate Traditional Name: sodium 3-[[2-(10-benzylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]propane-1-sulfonate Formula: C27H26NNaO4S3 MolecularWeight: 547.68441

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Descriptors Computed from Structure

Canonical SMILES:

C1C(CSC(=C2C3=CC=CC=C3N(C4=CC=CC=C42)CC5=CC=CC=C5)S1)OCCCS(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1C(CSC(=C2C3=CC=CC=C3N(C4=CC=CC=C42)CC5=CC=CC=C5)S1)OCCCS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C27H27NO4S3.Na/c29-35(30,31)16-8-15-32-21-18-33-27(34-19-21)26-22-11-4-6-13-24(22)28(17-20-9-2-1-3-10-20)25-14-7-5-12-23(25)26;/h1-7,9-14,21H,8,15-19H2,(H,29,30,31);/q;+1/p-1