2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-4-[2-[3-(4-phosphonooxyphenyl)propanoylamino]ethylcarbamoyl]benzoic acid

Systemtic Name: 2-(3-oxidanyl-6-oxidanylidene-xanthen-9-yl)-4-[2-[3-(4-phosphonooxyphenyl)propanoylamino]ethylcarbamoyl]benzoic acid Openeye Name: 2-(3-hydroxy-6-oxo-xanthen-9-yl)-4-[2-[3-(4-phosphonooxyphenyl)propanoylamino]ethylcarbamoyl]benzoic acid CAS Name: 2-(3-hydroxy-6-oxo-9-xanthenyl)-4-[oxo-[2-[[1-oxo-3-(4-phosphonooxyphenyl)propyl]amino]ethylamino]methyl]benzoic acid IUPAC Name: 2-(3-hydroxy-6-oxoxanthen-9-yl)-4-[2-[3-(4-phosphonooxyphenyl)propanoylamino]ethylcarbamoyl]benzoic acid Traditional Name: 2-(3-hydroxy-6-keto-xanthen-9-yl)-4-[2-[3-(4-phosphonooxyphenyl)propanoylamino]ethylcarbamoyl]benzoic acid Formula: C32H27N2O11P MolecularWeight: 646.537341

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCC(=O)NCCNC(=O)C2=CC(=C(C=C2)C(=O)O)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)OP(=O)(O)O

Isomeric SMILES

C1=CC(=CC=C1CCC(=O)NCCNC(=O)C2=CC(=C(C=C2)C(=O)O)C3=C4C=CC(=O)C=C4OC5=C3C=CC(=C5)O)OP(=O)(O)O

InChI

InChI=1S/C32H27N2O11P/c35-20-5-10-24-27(16-20)44-28-17-21(36)6-11-25(28)30(24)26-15-19(4-9-23(26)32(39)40)31(38)34-14-13-33-29(37)12-3-18-1-7-22(8-2-18)45-46(41,42)43/h1-2,4-11,15-17,35H,3,12-14H2,(H,33,37)(H,34,38)(H,39,40)(H2,41,42,43)