[2-[4-(4-hydroxyphenyl)-1,1-bis(oxidanyl)butyl]-3-oxidanyl-phenyl]sulfanylphosphonic acid

Systemtic Name: [2-[4-(4-hydroxyphenyl)-1,1-bis(oxidanyl)butyl]-3-oxidanyl-phenyl]sulfanylphosphonic acid Openeye Name: [2-[1,1-dihydroxy-4-(4-hydroxyphenyl)butyl]-3-hydroxy-phenyl]sulfanylphosphonic acid CAS Name: [[2-[1,1-dihydroxy-4-(4-hydroxyphenyl)butyl]-3-hydroxyphenyl]thio]phosphonic acid IUPAC Name: [2-[1,1-dihydroxy-4-(4-hydroxyphenyl)butyl]-3-hydroxyphenyl]sulfanylphosphonic acid Traditional Name: [[2-[1,1-dihydroxy-4-(4-hydroxyphenyl)butyl]-3-hydroxy-phenyl]thio]phosphonic acid Formula: C16H19O7PS MolecularWeight: 386.356621

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)SP(=O)(O)O)C(CCCC2=CC=C(C=C2)O)(O)O)O

Isomeric SMILES

C1=CC(=C(C(=C1)SP(=O)(O)O)C(CCCC2=CC=C(C=C2)O)(O)O)O

InChI

InChI=1S/C16H19O7PS/c17-12-8-6-11(7-9-12)3-2-10-16(19,20)15-13(18)4-1-5-14(15)25-24(21,22)23/h1,4-9,17-20H,2-3,10H2,(H2,21,22,23)