4,5-bis(oxidanyl)-2-[(E)-3-phenylprop-2-enoyl]cyclohexan-1-one; carbonic acid

Systemtic Name: 4,5-bis(oxidanyl)-2-[(E)-3-phenylprop-2-enoyl]cyclohexan-1-one; carbonic acid Openeye Name: carbonic acid; 4,5-dihydroxy-2-[(E)-3-phenylprop-2-enoyl]cyclohexanone CAS Name: carbonic acid; 4,5-dihydroxy-2-[(E)-1-oxo-3-phenylprop-2-enyl]-1-cyclohexanone IUPAC Name: carbonic acid; 4,5-dihydroxy-2-[(E)-3-phenylprop-2-enoyl]cyclohexan-1-one Traditional Name: carbonic acid; 4,5-dihydroxy-2-[(E)-3-phenylacryloyl]cyclohexanone Formula: C16H18O7 MolecularWeight: 322.30992

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CC(=O)C1C(=O)C=CC2=CC=CC=C2)O)O.C(=O)(O)O

Isomeric SMILES

C1C(C(CC(=O)C1C(=O)/C=C/C2=CC=CC=C2)O)O.C(=O)(O)O

InChI

InChI=1S/C15H16O4.CH2O3/c16-12(7-6-10-4-2-1-3-5-10)11-8-14(18)15(19)9-13(11)17;2-1(3)4/h1-7,11,14-15,18-19H,8-9H2;(H2,2,3,4)/b7-6+;