2,3,5-tris(oxidanyl)-8-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenanthrene-9-carboxylic acid

Systemtic Name: 2,3,5-tris(oxidanyl)-8-[(E)-3-oxidanyl-3-oxidanylidene-prop-1-enyl]phenanthrene-9-carboxylic acid Openeye Name: 2,3,5-trihydroxy-8-[(E)-3-hydroxy-3-oxo-prop-1-enyl]phenanthrene-9-carboxylic acid CAS Name: 2,3,5-trihydroxy-8-[(E)-3-hydroxy-3-oxoprop-1-enyl]-9-phenanthrenecarboxylic acid IUPAC Name: 2,3,5-trihydroxy-8-[(E)-3-hydroxy-3-oxoprop-1-enyl]phenanthrene-9-carboxylic acid Traditional Name: 2,3,5-trihydroxy-8-[(E)-3-hydroxy-3-keto-prop-1-enyl]phenanthrene-9-carboxylic acid Formula: C18H12O7 MolecularWeight: 340.28368

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C3=CC(=C(C=C3C=C(C2=C1C=CC(=O)O)C(=O)O)O)O)O

Isomeric SMILES

C1=CC(=C2C3=CC(=C(C=C3C=C(C2=C1/C=C/C(=O)O)C(=O)O)O)O)O

InChI

InChI=1S/C18H12O7/c19-12-3-1-8(2-4-15(22)23)16-11(18(24)25)5-9-6-13(20)14(21)7-10(9)17(12)16/h1-7,19-21H,(H,22,23)(H,24,25)/b4-2+