10-[4-(4-carboxy-2,6-dimethyl-phenoxy)sulfonylbutyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]acridin-10-ium-9-carboxylic acid

Systemtic Name: 10-[4-(4-carboxy-2,6-dimethyl-phenoxy)sulfonylbutyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]acridin-10-ium-9-carboxylic acid Openeye Name: 10-[4-(4-carboxy-2,6-dimethyl-phenoxy)sulfonylbutyl]-2-[(E)-2-(4-methoxyphenyl)vinyl]acridin-10-ium-9-carboxylic acid CAS Name: 10-[4-(4-carboxy-2,6-dimethylphenoxy)sulfonylbutyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-9-acridin-10-iumcarboxylic acid IUPAC Name: 10-[4-(4-carboxy-2,6-dimethylphenoxy)sulfonylbutyl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]acridin-10-ium-9-carboxylic acid Traditional Name: 10-[4-(4-carboxy-2,6-dimethyl-phenoxy)sulfonylbutyl]-2-[(E)-2-(4-methoxyphenyl)vinyl]acridin-10-ium-9-carboxylic acid Formula: C36H34NO8S+ MolecularWeight: 640.72206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OS(=O)(=O)CCCC[N+]2=C3C=CC(=CC3=C(C4=CC=CC=C42)C(=O)O)C=CC5=CC=C(C=C5)OC)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OS(=O)(=O)CCCC[N+]2=C3C=CC(=CC3=C(C4=CC=CC=C42)C(=O)O)/C=C/C5=CC=C(C=C5)OC)C)C(=O)O

InChI

InChI=1S/C36H33NO8S/c1-23-20-27(35(38)39)21-24(2)34(23)45-46(42,43)19-7-6-18-37-31-9-5-4-8-29(31)33(36(40)41)30-22-26(14-17-32(30)37)11-10-25-12-15-28(44-3)16-13-25/h4-5,8-17,20-22H,6-7,18-19H2,1-3H3,(H-,38,39,40,41)/p+1/b11-10+