[2-(3-chloranyl-4-oxidanyl-phenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone

Systemtic Name: [2-(3-chloranyl-4-oxidanyl-phenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Openeye Name: [2-(3-chloro-4-hydroxy-phenyl)-6-phosphonato-benzothiophen-3-yl]-[4-[2-(1-piperidyl)ethoxy]phenyl]methanone CAS Name: [2-(3-chloro-4-hydroxyphenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-[2-(1-piperidinyl)ethoxy]phenyl]methanone IUPAC Name: [2-(3-chloro-4-hydroxyphenyl)-6-phosphonato-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone Traditional Name: [2-(3-chloro-4-hydroxy-phenyl)-6-phosphonato-benzothiophen-3-yl]-[4-(2-piperidinoethoxy)phenyl]methanone Formula: C28H25ClNO6PS-2 MolecularWeight: 569.992961

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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)Cl

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)Cl

InChI

InChI=1S/C28H27ClNO6PS/c29-23-16-19(6-11-24(23)31)28-26(22-10-9-21(37(33,34)35)17-25(22)38-28)27(32)18-4-7-20(8-5-18)36-15-14-30-12-2-1-3-13-30/h4-11,16-17,31H,1-3,12-15H2,(H2,33,34,35)/p-2