3-[9-[[4-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]sulfonyl-(3-sulfopropyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate

Systemtic Name: 3-[9-[[4-(4-oxidanyl-4-oxidanylidene-butyl)phenyl]sulfonyl-(3-sulfopropyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate Openeye Name: 3-[9-[[4-(4-hydroxy-4-oxo-butyl)phenyl]sulfonyl-(3-sulfopropyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate CAS Name: 3-[9-[[[4-(4-hydroxy-4-oxobutyl)phenyl]sulfonyl-(3-sulfopropyl)amino]-oxomethyl]-10-acridin-10-iumyl]-1-propanesulfonate IUPAC Name: 3-[9-[[4-(4-hydroxy-4-oxobutyl)phenyl]sulfonyl-(3-sulfopropyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate Traditional Name: 3-[9-[[4-(4-hydroxy-4-keto-butyl)phenyl]sulfonyl-(3-sulfopropyl)carbamoyl]acridin-10-ium-10-yl]propane-1-sulfonate Formula: C30H32N2O11S3 MolecularWeight: 692.77688

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)