4-[4-(4-methoxy-3-sulfo-phenyl)-1-methyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-yl]benzoic acid

Systemtic Name: 4-[4-(4-methoxy-3-sulfo-phenyl)-1-methyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-yl]benzoic acid Openeye Name: 4-[4-(4-methoxy-3-sulfo-phenyl)-1-methyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-yl]benzoic acid CAS Name: 4-[4-(4-methoxy-3-sulfophenyl)-1-methyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-yl]benzoic acid IUPAC Name: 4-[4-(4-methoxy-3-sulfophenyl)-1-methyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-yl]benzoic acid Traditional Name: 4-[4-(4-methoxy-3-sulfo-phenyl)-1-methyl-5,6-dihydrobenzo[h]quinolin-1-ium-2-yl]benzoic acid Formula: C28H24NO6S+ MolecularWeight: 502.55826

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Descriptors Computed from Structure

Canonical SMILES:

C[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)C(=O)O

Isomeric SMILES

C[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)C(=O)O

InChI

InChI=1S/C28H23NO6S/c1-29-24(18-7-9-19(10-8-18)28(30)31)16-23(20-12-14-25(35-2)26(15-20)36(32,33)34)22-13-11-17-5-3-4-6-21(17)27(22)29/h3-10,12,14-16H,11,13H2,1-2H3,(H-,30,31,32,33,34)/p+1