4-methanoyl-4-(4-phosphonooxybutyl)cyclohexa-2,5-diene-1-carboxylic acid

Systemtic Name: 4-methanoyl-4-(4-phosphonooxybutyl)cyclohexa-2,5-diene-1-carboxylic acid Openeye Name: 4-formyl-4-(4-phosphonooxybutyl)cyclohexa-2,5-diene-1-carboxylic acid CAS Name: 4-formyl-4-(4-phosphonooxybutyl)-1-cyclohexa-2,5-dienecarboxylic acid IUPAC Name: 4-formyl-4-(4-phosphonooxybutyl)cyclohexa-2,5-diene-1-carboxylic acid Traditional Name: 4-formyl-4-(4-phosphonooxybutyl)cyclohexa-2,5-diene-1-carboxylic acid Formula: C12H17O7P MolecularWeight: 304.232941

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(C=CC1C(=O)O)(CCCCOP(=O)(O)O)C=O

Isomeric SMILES

C1=CC(C=CC1C(=O)O)(CCCCOP(=O)(O)O)C=O

InChI

InChI=1S/C12H17O7P/c13-9-12(5-1-2-8-19-20(16,17)18)6-3-10(4-7-12)11(14)15/h3-4,6-7,9-10H,1-2,5,8H2,(H,14,15)(H2,16,17,18)