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

Systemtic Name: [4-[[3-ethyl-2-(4-hydroxyphenyl)-5-oxidanyl-1-benzothiophen-6-yl]amino]-4-oxidanylidene-1-phosphono-butyl]phosphonic acid Openeye Name: [4-[[3-ethyl-5-hydroxy-2-(4-hydroxyphenyl)benzothiophen-6-yl]amino]-4-oxo-1-phosphono-butyl]phosphonic acid CAS Name: [4-[[3-ethyl-5-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-6-yl]amino]-4-oxo-1-phosphonobutyl]phosphonic acid IUPAC Name: [4-[[3-ethyl-5-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-6-yl]amino]-4-oxo-1-phosphonobutyl]phosphonic acid Traditional Name: [4-[[3-ethyl-5-hydroxy-2-(4-hydroxyphenyl)benzothiophen-6-yl]amino]-4-keto-1-phosphono-butyl]phosphonic acid Formula: C20H23NO9P2S MolecularWeight: 515.410442

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=CC(=C(C=C21)O)NC(=O)CCC(P(=O)(O)O)P(=O)(O)O)C3=CC=C(C=C3)O

Isomeric SMILES

CCC1=C(SC2=CC(=C(C=C21)O)NC(=O)CCC(P(=O)(O)O)P(=O)(O)O)C3=CC=C(C=C3)O

InChI

InChI=1S/C20H23NO9P2S/c1-2-13-14-9-16(23)15(10-17(14)33-20(13)11-3-5-12(22)6-4-11)21-18(24)7-8-19(31(25,26)27)32(28,29)30/h3-6,9-10,19,22-23H,2,7-8H2,1H3,(H,21,24)(H2,25,26,27)(H2,28,29,30)