7-(1-methoxyethyl)-5-octyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-(1-methoxyethyl)-5-octyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-(1-methoxyethyl)-5-octyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-(1-methoxyethyl)-5-octyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-(1-methoxyethyl)-5-octyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 9-keto-7-(1-methoxyethyl)-5-octyl-xanthene-2-carboxylic acid Formula: C25H30O5 MolecularWeight: 410.5027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C2C(=CC(=C1)C(C)OC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCCCC1=C2C(=CC(=C1)C(C)OC)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C25H30O5/c1-4-5-6-7-8-9-10-17-13-19(16(2)29-3)15-21-23(26)20-14-18(25(27)28)11-12-22(20)30-24(17)21/h11-16H,4-10H2,1-3H3,(H,27,28)