3-[9-(2,6-dimethylphenoxy)carbonylacridin-10-ium-10-yl]propane-1-sulfonic acid

Systemtic Name: 3-[9-(2,6-dimethylphenoxy)carbonylacridin-10-ium-10-yl]propane-1-sulfonic acid Openeye Name: 3-[9-(2,6-dimethylphenoxy)carbonylacridin-10-ium-10-yl]propane-1-sulfonic acid CAS Name: 3-[9-[(2,6-dimethylphenoxy)-oxomethyl]-10-acridin-10-iumyl]-1-propanesulfonic acid IUPAC Name: 3-[9-(2,6-dimethylphenoxy)carbonylacridin-10-ium-10-yl]propane-1-sulfonic acid Traditional Name: 3-[9-(2,6-dimethylphenoxy)carbonylacridin-10-ium-10-yl]propane-1-sulfonic acid Formula: C25H24NO5S+ MolecularWeight: 450.52676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2=C3C=CC=CC3=[N+](C4=CC=CC=C42)CCCS(=O)(=O)O

InChI

InChI=1S/C25H23NO5S/c1-17-9-7-10-18(2)24(17)31-25(27)23-19-11-3-5-13-21(19)26(15-8-16-32(28,29)30)22-14-6-4-12-20(22)23/h3-7,9-14H,8,15-16H2,1-2H3/p+1