4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxy-ethenyl]-10-methyl-acridin-10-ium-9-yl]carbonyloxy-3,5-dimethyl-benzoic acid

Systemtic Name: 4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxy-ethenyl]-10-methyl-acridin-10-ium-9-yl]carbonyloxy-3,5-dimethyl-benzoic acid Openeye Name: 4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxy-vinyl]-10-methyl-acridin-10-ium-9-carbonyl]oxy-3,5-dimethyl-benzoic acid CAS Name: 4-[[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methyl-9-acridin-10-iumyl]-oxomethoxy]-3,5-dimethylbenzoic acid IUPAC Name: 4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxyethenyl]-10-methylacridin-10-ium-9-carbonyl]oxy-3,5-dimethylbenzoic acid Traditional Name: 4-[3-[(Z)-2-(4-hydroxyphenyl)-1-phosphonooxy-vinyl]-10-methyl-acridin-10-ium-9-carbonyl]oxy-3,5-dimethyl-benzoic acid Formula: C32H27NO9P+ MolecularWeight: 600.531841

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H26NO9P/c1-18-14-22(31(35)36)15-19(2)30(18)41-32(37)29-24-6-4-5-7-26(24)33(3)27-17-21(10-13-25(27)29)28(42-43(38,39)40)16-20-8-11-23(34)12-9-20/h4-17H,1-3H3,(H3,35,36,38,39,40)/p+1