[2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl]phosphonic acid

Systemtic Name: [2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl]phosphonic acid Openeye Name: [2-(4-hydroxyphenyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-6-yl]phosphonic acid CAS Name: [2-(4-hydroxyphenyl)-3-[oxo-[4-[2-(1-piperidinyl)ethoxy]phenyl]methyl]-1-benzothiophen-6-yl]phosphonic acid IUPAC Name: [2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)benzoyl]-1-benzothiophen-6-yl]phosphonic acid Traditional Name: [2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-6-yl]phosphonic acid Formula: C28H28NO6PS MolecularWeight: 537.563781

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)P(=O)(O)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C(=O)C3=C(SC4=C3C=CC(=C4)P(=O)(O)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C28H28NO6PS/c30-21-8-4-20(5-9-21)28-26(24-13-12-23(36(32,33)34)18-25(24)37-28)27(31)19-6-10-22(11-7-19)35-17-16-29-14-2-1-3-15-29/h4-13,18,30H,1-3,14-17H2,(H2,32,33,34)