[3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-phenyl]carbonylphosphonic acid

Systemtic Name: [3-(1,3-benzodioxol-5-ylmethyl)-4-oxidanyl-phenyl]carbonylphosphonic acid Openeye Name: [3-(1,3-benzodioxol-5-ylmethyl)-4-hydroxy-benzoyl]phosphonic acid CAS Name: [[3-(1,3-benzodioxol-5-ylmethyl)-4-hydroxyphenyl]-oxomethyl]phosphonic acid IUPAC Name: [3-(1,3-benzodioxol-5-ylmethyl)-4-hydroxybenzoyl]phosphonic acid Traditional Name: (4-hydroxy-3-piperonyl-benzoyl)phosphonic acid Formula: C15H13O7P MolecularWeight: 336.233281

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CC3=C(C=CC(=C3)C(=O)P(=O)(O)O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CC3=C(C=CC(=C3)C(=O)P(=O)(O)O)O

InChI

InChI=1S/C15H13O7P/c16-12-3-2-10(15(17)23(18,19)20)7-11(12)5-9-1-4-13-14(6-9)22-8-21-13/h1-4,6-7,16H,5,8H2,(H2,18,19,20)