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

Systemtic Name: 4-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]butane-1-sulfonic acid Openeye Name: 4-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]butane-1-sulfonic acid CAS Name: 4-[[2-(10-phenyl-9-acridinylidene)-1,3-dithian-5-yl]oxy]-1-butanesulfonic acid IUPAC Name: 4-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]butane-1-sulfonic acid Traditional Name: 4-[[2-(10-phenylacridin-9-ylidene)-1,3-dithian-5-yl]oxy]butane-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)C5=CC=CC=C5)S1)OCCCCS(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO4S3/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)