3-[(3-carboxyphenyl)methyl]-6,6-bis(oxidanyl)cyclohexa-2,4-diene-1-carboxylic acid

Systemtic Name: 3-[(3-carboxyphenyl)methyl]-6,6-bis(oxidanyl)cyclohexa-2,4-diene-1-carboxylic acid Openeye Name: 3-[(3-carboxyphenyl)methyl]-6,6-dihydroxy-cyclohexa-2,4-diene-1-carboxylic acid CAS Name: 3-[(3-carboxyphenyl)methyl]-6,6-dihydroxy-1-cyclohexa-2,4-dienecarboxylic acid IUPAC Name: 3-[(3-carboxyphenyl)methyl]-6,6-dihydroxycyclohexa-2,4-diene-1-carboxylic acid Traditional Name: 3-(3-carboxybenzyl)-6,6-dihydroxy-cyclohexa-2,4-diene-1-carboxylic acid Formula: C15H14O6 MolecularWeight: 290.26806

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CC2=CC(C(C=C2)(O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)CC2=CC(C(C=C2)(O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C15H14O6/c16-13(17)11-3-1-2-9(7-11)6-10-4-5-15(20,21)12(8-10)14(18)19/h1-5,7-8,12,20-21H,6H2,(H,16,17)(H,18,19)