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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CCCC(=O)C2=C(C=CC=C2SP(=O)(O)O)O

Isomeric SMILES

C1=CC(=CC(=C1)O)CCCC(=O)C2=C(C=CC=C2SP(=O)(O)O)O

InChI

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