5-methoxy-7-(1-methoxybutyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-methoxy-7-(1-methoxybutyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-methoxy-7-(1-methoxybutyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-methoxy-7-(1-methoxybutyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-methoxy-7-(1-methoxybutyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-5-methoxy-7-(1-methoxybutyl)xanthene-2-carboxylic acid Formula: C20H20O6 MolecularWeight: 356.3692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)OC)OC

Isomeric SMILES

CCCC(C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)OC)OC

InChI

InChI=1S/C20H20O6/c1-4-5-15(24-2)12-9-14-18(21)13-8-11(20(22)23)6-7-16(13)26-19(14)17(10-12)25-3/h6-10,15H,4-5H2,1-3H3,(H,22,23)