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

Systemtic Name: 3-[[2-[10-(phenylmethyl)acridin-9-ylidene]-1,3-dithian-5-yl]oxy]propane-1-sulfonic acid Openeye Name: 3-[[2-(10-benzylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]propane-1-sulfonic acid CAS Name: 3-[[2-[10-(phenylmethyl)-9-acridinylidene]-1,3-dithian-5-yl]oxy]-1-propanesulfonic acid IUPAC Name: 3-[[2-(10-benzylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]propane-1-sulfonic acid Traditional Name: 3-[[2-(10-benzylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]propane-1-sulfonic acid Formula: C27H27NO4S3 MolecularWeight: 525.70258

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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

Isomeric SMILES

C1C(CSC(=C2C3=CC=CC=C3N(C4=CC=CC=C42)CC5=CC=CC=C5)S1)OCCCS(=O)(=O)O

InChI

InChI=1S/C27H27NO4S3/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)