ethyl 5-(3-ethoxy-3-oxidanylidene-propyl)-6-oxidanyl-9-oxidanylidene-xanthene-2-carboxylate

Systemtic Name: ethyl 5-(3-ethoxy-3-oxidanylidene-propyl)-6-oxidanyl-9-oxidanylidene-xanthene-2-carboxylate Openeye Name: ethyl 5-(3-ethoxy-3-oxo-propyl)-6-hydroxy-9-oxo-xanthene-2-carboxylate CAS Name: 5-(3-ethoxy-3-oxopropyl)-6-hydroxy-9-oxo-2-xanthenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(3-ethoxy-3-oxopropyl)-6-hydroxy-9-oxoxanthene-2-carboxylate Traditional Name: 5-(3-ethoxy-3-keto-propyl)-6-hydroxy-9-keto-xanthene-2-carboxylic acid ethyl ester Formula: C21H20O7 MolecularWeight: 384.3793

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC1=C(C=CC2=C1OC3=C(C2=O)C=C(C=C3)C(=O)OCC)O

Isomeric SMILES

CCOC(=O)CCC1=C(C=CC2=C1OC3=C(C2=O)C=C(C=C3)C(=O)OCC)O

InChI

InChI=1S/C21H20O7/c1-3-26-18(23)10-7-13-16(22)8-6-14-19(24)15-11-12(21(25)27-4-2)5-9-17(15)28-20(13)14/h5-6,8-9,11,22H,3-4,7,10H2,1-2H3