4-[oxidanyl(phenyl)methyl]cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid

Systemtic Name: 4-[oxidanyl(phenyl)methyl]cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Openeye Name: 4-[hydroxy(phenyl)methyl]cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid CAS Name: 4-[hydroxy(phenyl)methyl]cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid IUPAC Name: 4-[hydroxy(phenyl)methyl]cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Traditional Name: 4-[hydroxy(phenyl)methyl]cyclohexa-3,5-diene-1,1,2,2-tetracarboxylic acid Formula: C17H14O9 MolecularWeight: 362.28766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14O9/c18-11(9-4-2-1-3-5-9)10-6-7-16(12(19)20,13(21)22)17(8-10,14(23)24)15(25)26/h1-8,11,18H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)