[1,6-dicarboxyoxy-4-[carboxyoxy(phenyl)methyl]-6-oxidanyl-cyclohexa-2,4-dien-1-yl] hydrogen carbonate

Systemtic Name: [1,6-dicarboxyoxy-4-[carboxyoxy(phenyl)methyl]-6-oxidanyl-cyclohexa-2,4-dien-1-yl] hydrogen carbonate Openeye Name: [1,6-dicarboxyoxy-4-[carboxyoxy(phenyl)methyl]-6-hydroxy-cyclohexa-2,4-dien-1-yl] hydrogen carbonate CAS Name: carbonic acid [1,6-dicarboxyoxy-4-[carboxyoxy(phenyl)methyl]-6-hydroxy-1-cyclohexa-2,4-dienyl] ester IUPAC Name: [1,6-dicarboxyoxy-4-[carboxyoxy(phenyl)methyl]-6-hydroxycyclohexa-2,4-dien-1-yl] hydrogen carbonate Traditional Name: carbonic acid [1,6-dicarboxyoxy-4-[carboxyoxy(phenyl)methyl]-6-hydroxy-cyclohexa-2,4-dien-1-yl] ester Formula: C17H14O13 MolecularWeight: 426.28526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14O13/c18-12(19)27-11(9-4-2-1-3-5-9)10-6-7-17(29-14(22)23,30-15(24)25)16(26,8-10)28-13(20)21/h1-8,11,26H,(H,18,19)(H,20,21)(H,22,23)(H,24,25)