[4-[[1,3-diethyl-2-(4-hydroxyphenyl)-5-oxidanyl-indol-6-yl]amino]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid

Systemtic Name: [4-[[1,3-diethyl-2-(4-hydroxyphenyl)-5-oxidanyl-indol-6-yl]amino]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[[1,3-diethyl-5-hydroxy-2-(4-hydroxyphenyl)indol-6-yl]amino]-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[1,3-diethyl-5-hydroxy-2-(4-hydroxyphenyl)-6-indolyl]amino]-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[[1,3-diethyl-5-hydroxy-2-(4-hydroxyphenyl)indol-6-yl]amino]-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[[1,3-diethyl-5-hydroxy-2-(4-hydroxyphenyl)indol-6-yl]amino]-4-keto-1-phosphono-butyl]phosphonic acid Formula: C22H28N2O9P2 MolecularWeight: 526.413242

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O9P2/c1-3-15-16-11-19(26)17(23-20(27)9-10-21(34(28,29)30)35(31,32)33)12-18(16)24(4-2)22(15)13-5-7-14(25)8-6-13/h5-8,11-12,21,25-26H,3-4,9-10H2,1-2H3,(H,23,27)(H2,28,29,30)(H2,31,32,33)