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

Systemtic Name: 1-(2-methoxy-9-phenoxycarbonyl-acridin-10-ium-10-yl)butane-1-sulfonic acid Openeye Name: 1-(2-methoxy-9-phenoxycarbonyl-acridin-10-ium-10-yl)butane-1-sulfonic acid CAS Name: 1-[2-methoxy-9-[oxo(phenoxy)methyl]-10-acridin-10-iumyl]-1-butanesulfonic acid IUPAC Name: 1-(2-methoxy-9-phenoxycarbonylacridin-10-ium-10-yl)butane-1-sulfonic acid Traditional Name: 1-(9-carbophenoxy-2-methoxy-acridin-10-ium-10-yl)butane-1-sulfonic acid Formula: C25H24NO6S+ MolecularWeight: 466.52616

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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)OC)S(=O)(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO6S/c1-3-9-23(33(28,29)30)26-21-13-8-7-12-19(21)24(20-16-18(31-2)14-15-22(20)26)25(27)32-17-10-5-4-6-11-17/h4-8,10-16,23H,3,9H2,1-2H3/p+1