[9-(4-carboxy-2,6-dimethyl-phenoxy)carbonyl-7-methoxy-10-methyl-acridin-10-ium-2-yl] phosphate

Systemtic Name: [9-(4-carboxy-2,6-dimethyl-phenoxy)carbonyl-7-methoxy-10-methyl-acridin-10-ium-2-yl] phosphate Openeye Name: [9-(4-carboxy-2,6-dimethyl-phenoxy)carbonyl-7-methoxy-10-methyl-acridin-10-ium-2-yl] phosphate CAS Name: [9-[(4-carboxy-2,6-dimethylphenoxy)-oxomethyl]-7-methoxy-10-methyl-2-acridin-10-iumyl] phosphate IUPAC Name: [9-(4-carboxy-2,6-dimethylphenoxy)carbonyl-7-methoxy-10-methylacridin-10-ium-2-yl] phosphate Traditional Name: [9-(4-carboxy-2,6-dimethyl-phenoxy)carbonyl-7-methoxy-10-methyl-acridin-10-ium-2-yl] phosphate Formula: C25H21NO9P- MolecularWeight: 510.409301

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=C2C=C(C=C4)OP(=O)([O-])[O-])C)OC)C)C(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=C3C=C(C=CC3=[N+](C4=C2C=C(C=C4)OP(=O)([O-])[O-])C)OC)C)C(=O)O

InChI

InChI=1S/C25H22NO9P/c1-13-9-15(24(27)28)10-14(2)23(13)34-25(29)22-18-11-16(33-4)5-7-20(18)26(3)21-8-6-17(12-19(21)22)35-36(30,31)32/h5-12H,1-4H3,(H2-,27,28,30,31,32)/p-1