[4-[[3-ethyl-2-(4-hydroxyphenyl)-1-methyl-6-oxidanyl-1H-inden-5-yl]amino]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[[3-ethyl-2-(4-hydroxyphenyl)-1-methyl-6-oxidanyl-1H-inden-5-yl]amino]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[[3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-1-methyl-1H-inden-5-yl]amino]-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-1-methyl-1H-inden-5-yl]amino]-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[[3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-1-methyl-1H-inden-5-yl]amino]-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[[3-ethyl-6-hydroxy-2-(4-hydroxyphenyl)-1-methyl-1H-inden-5-yl]amino]-4-keto-1-phosphono-butyl]phosphonic acid Formula: C22H27NO9P2 MolecularWeight: 511.398602

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(C2=CC(=C(C=C21)NC(=O)CCC(P(=O)(O)O)P(=O)(O)O)O)C)C3=CC=C(C=C3)O

Isomeric SMILES

CCC1=C(C(C2=CC(=C(C=C21)NC(=O)CCC(P(=O)(O)O)P(=O)(O)O)O)C)C3=CC=C(C=C3)O

InChI

InChI=1S/C22H27NO9P2/c1-3-15-17-10-18(23-20(26)8-9-21(33(27,28)29)34(30,31)32)19(25)11-16(17)12(2)22(15)13-4-6-14(24)7-5-13/h4-7,10-12,21,24-25H,3,8-9H2,1-2H3,(H,23,26)(H2,27,28,29)(H2,30,31,32)