4-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]-10-methyl-acridin-10-ium-9-yl]carbonyloxy-3,5-dimethyl-benzoic acid

Systemtic Name: 4-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]-10-methyl-acridin-10-ium-9-yl]carbonyloxy-3,5-dimethyl-benzoic acid Openeye Name: 4-[2-[(E)-2-(3-hydroxyphenyl)vinyl]-10-methyl-acridin-10-ium-9-carbonyl]oxy-3,5-dimethyl-benzoic acid CAS Name: 4-[[2-[(E)-2-(3-hydroxyphenyl)ethenyl]-10-methyl-9-acridin-10-iumyl]-oxomethoxy]-3,5-dimethylbenzoic acid IUPAC Name: 4-[2-[(E)-2-(3-hydroxyphenyl)ethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid Traditional Name: 4-[2-[(E)-2-(3-hydroxyphenyl)vinyl]-10-methyl-acridin-10-ium-9-carbonyl]oxy-3,5-dimethyl-benzoic acid Formula: C32H26NO5+ MolecularWeight: 504.55254

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)C)C=CC5=CC(=CC=C5)O)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=CC=CC=C42)C)/C=C/C5=CC(=CC=C5)O)C)C(=O)O

InChI

InChI=1S/C32H25NO5/c1-19-15-23(31(35)36)16-20(2)30(19)38-32(37)29-25-9-4-5-10-27(25)33(3)28-14-13-22(18-26(28)29)12-11-21-7-6-8-24(34)17-21/h4-18H,1-3H3,(H-,34,35,36)/p+1/b12-11+