[2-[4-(3-hydroxyphenyl)butanoyl]-3,5-bis(oxidanyl)phenyl]sulfanylphosphonic acid

Systemtic Name: [2-[4-(3-hydroxyphenyl)butanoyl]-3,5-bis(oxidanyl)phenyl]sulfanylphosphonic acid Openeye Name: [3,5-dihydroxy-2-[4-(3-hydroxyphenyl)butanoyl]phenyl]sulfanylphosphonic acid CAS Name: [[3,5-dihydroxy-2-[4-(3-hydroxyphenyl)-1-oxobutyl]phenyl]thio]phosphonic acid IUPAC Name: [3,5-dihydroxy-2-[4-(3-hydroxyphenyl)butanoyl]phenyl]sulfanylphosphonic acid Traditional Name: [[3,5-dihydroxy-2-[4-(3-hydroxyphenyl)butanoyl]phenyl]thio]phosphonic acid Formula: C16H17O7PS MolecularWeight: 384.340741

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17O7PS/c17-11-5-1-3-10(7-11)4-2-6-13(19)16-14(20)8-12(18)9-15(16)25-24(21,22)23/h1,3,5,7-9,17-18,20H,2,4,6H2,(H2,21,22,23)