sodium 4-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]butane-1-sulfonate

Systemtic Name: sodium 4-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]butane-1-sulfonate Openeye Name: sodium 4-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]butane-1-sulfonate CAS Name: sodium 4-[[2-(10-phenyl-9-acridinylidene)-1,3-dithian-5-yl]oxy]-1-butanesulfonate IUPAC Name: sodium 4-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]butane-1-sulfonate Traditional Name: sodium 4-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]butane-1-sulfonate Formula: C27H26NNaO4S3 MolecularWeight: 547.68441

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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