(1,6,6-tricarboxyoxy-3-phenyl-cyclohexa-2,4-dien-1-yl) hydrogen carbonate

Systemtic Name: (1,6,6-tricarboxyoxy-3-phenyl-cyclohexa-2,4-dien-1-yl) hydrogen carbonate Openeye Name: (1,6,6-tricarboxyoxy-3-phenyl-cyclohexa-2,4-dien-1-yl) hydrogen carbonate CAS Name: carbonic acid (1,6,6-tricarboxyoxy-3-phenyl-1-cyclohexa-2,4-dienyl) ester IUPAC Name: (1,6,6-tricarboxyoxy-3-phenylcyclohexa-2,4-dien-1-yl) hydrogen carbonate Traditional Name: carbonic acid (1,6,6-tricarboxyoxy-3-phenyl-cyclohexa-2,4-dien-1-yl) ester Formula: C16H12O12 MolecularWeight: 396.25928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12O12/c17-11(18)25-15(26-12(19)20)7-6-10(9-4-2-1-3-5-9)8-16(15,27-13(21)22)28-14(23)24/h1-8H,(H,17,18)(H,19,20)(H,21,22)(H,23,24)