[1,6,6-tricarboxyoxy-3-(phenylcarbonyl)cyclohexa-2,4-dien-1-yl] hydrogen carbonate

Systemtic Name: [1,6,6-tricarboxyoxy-3-(phenylcarbonyl)cyclohexa-2,4-dien-1-yl] hydrogen carbonate Openeye Name: (3-benzoyl-1,6,6-tricarboxyoxy-cyclohexa-2,4-dien-1-yl) hydrogen carbonate CAS Name: carbonic acid (3-benzoyl-1,6,6-tricarboxyoxy-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (3-benzoyl-1,6,6-tricarboxyoxycyclohexa-2,4-dien-1-yl) hydrogen carbonate Traditional Name: carbonic acid (3-benzoyl-1,6,6-tricarboxyoxy-cyclohexa-2,4-dien-1-yl) ester Formula: C17H12O13 MolecularWeight: 424.26938

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H12O13/c18-11(9-4-2-1-3-5-9)10-6-7-16(27-12(19)20,28-13(21)22)17(8-10,29-14(23)24)30-15(25)26/h1-8H,(H,19,20)(H,21,22)(H,23,24)(H,25,26)