[2-[4-(3-hydroxyphenyl)butanoyl]-4-oxidanyl-phenyl]sulfanylphosphonic acid

Systemtic Name: [2-[4-(3-hydroxyphenyl)butanoyl]-4-oxidanyl-phenyl]sulfanylphosphonic acid Openeye Name: [4-hydroxy-2-[4-(3-hydroxyphenyl)butanoyl]phenyl]sulfanylphosphonic acid CAS Name: [[4-hydroxy-2-[4-(3-hydroxyphenyl)-1-oxobutyl]phenyl]thio]phosphonic acid IUPAC Name: [4-hydroxy-2-[4-(3-hydroxyphenyl)butanoyl]phenyl]sulfanylphosphonic acid Traditional Name: [[4-hydroxy-2-[4-(3-hydroxyphenyl)butanoyl]phenyl]thio]phosphonic acid Formula: C16H17O6PS MolecularWeight: 368.341341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CCCC(=O)C2=C(C=CC(=C2)O)SP(=O)(O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)CCCC(=O)C2=C(C=CC(=C2)O)SP(=O)(O)O

InChI

InChI=1S/C16H17O6PS/c17-12-5-1-3-11(9-12)4-2-6-15(19)14-10-13(18)7-8-16(14)24-23(20,21)22/h1,3,5,7-10,17-18H,2,4,6H2,(H2,20,21,22)