[4-[[7-(4-hydroxyphenyl)-3-oxidanyl-8-phenyl-5,6-dihydronaphthalen-2-yl]amino]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[[7-(4-hydroxyphenyl)-3-oxidanyl-8-phenyl-5,6-dihydronaphthalen-2-yl]amino]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[[3-hydroxy-7-(4-hydroxyphenyl)-8-phenyl-5,6-dihydronaphthalen-2-yl]amino]-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[3-hydroxy-7-(4-hydroxyphenyl)-8-phenyl-5,6-dihydronaphthalen-2-yl]amino]-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[[3-hydroxy-7-(4-hydroxyphenyl)-8-phenyl-5,6-dihydronaphthalen-2-yl]amino]-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[[3-hydroxy-7-(4-hydroxyphenyl)-8-phenyl-5,6-dihydronaphthalen-2-yl]amino]-4-keto-1-phosphono-butyl]phosphonic acid Formula: C26H27NO9P2 MolecularWeight: 559.441402

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=C(C2=CC(=C(C=C21)O)NC(=O)CCC(P(=O)(O)O)P(=O)(O)O)C3=CC=CC=C3)C4=CC=C(C=C4)O

Isomeric SMILES

C1CC(=C(C2=CC(=C(C=C21)O)NC(=O)CCC(P(=O)(O)O)P(=O)(O)O)C3=CC=CC=C3)C4=CC=C(C=C4)O

InChI

InChI=1S/C26H27NO9P2/c28-19-9-6-16(7-10-19)20-11-8-18-14-23(29)22(15-21(18)26(20)17-4-2-1-3-5-17)27-24(30)12-13-25(37(31,32)33)38(34,35)36/h1-7,9-10,14-15,25,28-29H,8,11-13H2,(H,27,30)(H2,31,32,33)(H2,34,35,36)