1-(2-dimethylphosphoryloxy-9-phenoxycarbonyl-acridin-10-ium-10-yl)butane-1-sulfonic acid

Systemtic Name: 1-(2-dimethylphosphoryloxy-9-phenoxycarbonyl-acridin-10-ium-10-yl)butane-1-sulfonic acid Openeye Name: 1-(2-dimethylphosphoryloxy-9-phenoxycarbonyl-acridin-10-ium-10-yl)butane-1-sulfonic acid CAS Name: 1-[2-dimethylphosphoryloxy-9-[oxo(phenoxy)methyl]-10-acridin-10-iumyl]-1-butanesulfonic acid IUPAC Name: 1-(2-dimethylphosphoryloxy-9-phenoxycarbonylacridin-10-ium-10-yl)butane-1-sulfonic acid Traditional Name: 1-(9-carbophenoxy-2-dimethylphosphoryloxy-acridin-10-ium-10-yl)butane-1-sulfonic acid Formula: C26H27NO7PS+ MolecularWeight: 528.533841

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Descriptors Computed from Structure

Canonical SMILES:

CCCC([N+]1=C2C=CC(=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=CC=C4)OP(=O)(C)C)S(=O)(=O)O

Isomeric SMILES

CCCC([N+]1=C2C=CC(=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=CC=C4)OP(=O)(C)C)S(=O)(=O)O

InChI

InChI=1S/C26H26NO7PS/c1-4-10-24(36(30,31)32)27-22-14-9-8-13-20(22)25(26(28)33-18-11-6-5-7-12-18)21-17-19(15-16-23(21)27)34-35(2,3)29/h5-9,11-17,24H,4,10H2,1-3H3/p+1