4-[4-[3-sulfopropyl-[10-(3-sulfopropyl)acridin-10-ium-9-yl]carbonyl-sulfamoyl]phenyl]butanoic acid

Systemtic Name: 4-[4-[3-sulfopropyl-[10-(3-sulfopropyl)acridin-10-ium-9-yl]carbonyl-sulfamoyl]phenyl]butanoic acid Openeye Name: 4-[4-[3-sulfopropyl-[10-(3-sulfopropyl)acridin-10-ium-9-carbonyl]sulfamoyl]phenyl]butanoic acid CAS Name: 4-[4-[[oxo-[10-(3-sulfopropyl)-9-acridin-10-iumyl]methyl]-(3-sulfopropyl)sulfamoyl]phenyl]butanoic acid IUPAC Name: 4-[4-[3-sulfopropyl-[10-(3-sulfopropyl)acridin-10-ium-9-carbonyl]sulfamoyl]phenyl]butanoic acid Traditional Name: 4-[4-[3-sulfopropyl-[10-(3-sulfopropyl)acridin-10-ium-9-carbonyl]sulfamoyl]phenyl]butyric acid Formula: C30H33N2O11S3+ MolecularWeight: 693.78482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2CCCS(=O)(=O)O)C(=O)N(CCCS(=O)(=O)O)S(=O)(=O)C4=CC=C(C=C4)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[N+]2CCCS(=O)(=O)O)C(=O)N(CCCS(=O)(=O)O)S(=O)(=O)C4=CC=C(C=C4)CCCC(=O)O

InChI

InChI=1S/C30H32N2O11S3/c33-28(34)13-5-8-22-14-16-23(17-15-22)46(42,43)32(19-7-21-45(39,40)41)30(35)29-24-9-1-3-11-26(24)31(18-6-20-44(36,37)38)27-12-4-2-10-25(27)29/h1-4,9-12,14-17H,5-8,13,18-21H2,(H2-,33,34,36,37,38,39,40,41)/p+1