5-[1-butyl-2-(4-sulfophenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-2-methoxy-benzenesulfonic acid

Systemtic Name: 5-[1-butyl-2-(4-sulfophenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-2-methoxy-benzenesulfonic acid Openeye Name: 5-[1-butyl-2-(4-sulfophenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-2-methoxy-benzenesulfonic acid CAS Name: 5-[1-butyl-2-(4-sulfophenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-2-methoxybenzenesulfonic acid IUPAC Name: 5-[1-butyl-2-(4-sulfophenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-2-methoxybenzenesulfonic acid Traditional Name: 5-[1-butyl-2-(4-sulfophenyl)-5,6-dihydrobenzo[h]quinolin-1-ium-4-yl]-2-methoxy-besylic acid Formula: C30H30NO7S2+ MolecularWeight: 580.6917

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=CC(=C(C=C4)OC)S(=O)(=O)O)C5=CC=C(C=C5)S(=O)(=O)O

Isomeric SMILES

CCCC[N+]1=C(C=C(C2=C1C3=CC=CC=C3CC2)C4=CC(=C(C=C4)OC)S(=O)(=O)O)C5=CC=C(C=C5)S(=O)(=O)O

InChI

InChI=1S/C30H29NO7S2/c1-3-4-17-31-27(21-9-13-23(14-10-21)39(32,33)34)19-26(22-12-16-28(38-2)29(18-22)40(35,36)37)25-15-11-20-7-5-6-8-24(20)30(25)31/h5-10,12-14,16,18-19H,3-4,11,15,17H2,1-2H3,(H-,32,33,34,35,36,37)/p+1