[4-[[3-(4-hydroxyphenyl)-7-oxidanyl-2-oxidanylidene-4-propyl-chromen-6-yl]amino]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[[3-(4-hydroxyphenyl)-7-oxidanyl-2-oxidanylidene-4-propyl-chromen-6-yl]amino]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[[7-hydroxy-3-(4-hydroxyphenyl)-2-oxo-4-propyl-chromen-6-yl]amino]-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[7-hydroxy-3-(4-hydroxyphenyl)-2-oxo-4-propyl-1-benzopyran-6-yl]amino]-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[[7-hydroxy-3-(4-hydroxyphenyl)-2-oxo-4-propylchromen-6-yl]amino]-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[[7-hydroxy-3-(4-hydroxyphenyl)-2-keto-4-propyl-chromen-6-yl]amino]-4-keto-1-phosphono-butyl]phosphonic acid Formula: C22H25NO11P2 MolecularWeight: 541.381522

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=O)OC2=CC(=C(C=C21)NC(=O)CCC(P(=O)(O)O)P(=O)(O)O)O)C3=CC=C(C=C3)O

Isomeric SMILES

CCCC1=C(C(=O)OC2=CC(=C(C=C21)NC(=O)CCC(P(=O)(O)O)P(=O)(O)O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H25NO11P2/c1-2-3-14-15-10-16(23-19(26)8-9-20(35(28,29)30)36(31,32)33)17(25)11-18(15)34-22(27)21(14)12-4-6-13(24)7-5-12/h4-7,10-11,20,24-25H,2-3,8-9H2,1H3,(H,23,26)(H2,28,29,30)(H2,31,32,33)