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

Systemtic Name: 7-(1-acetyloxyethyl)-5-octyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-(1-acetoxyethyl)-5-octyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-(1-acetyloxyethyl)-5-octyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-(1-acetyloxyethyl)-5-octyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-(1-acetoxyethyl)-9-keto-5-octyl-xanthene-2-carboxylic acid Formula: C26H30O6 MolecularWeight: 438.5128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30O6/c1-4-5-6-7-8-9-10-18-13-20(16(2)31-17(3)27)15-22-24(28)21-14-19(26(29)30)11-12-23(21)32-25(18)22/h11-16H,4-10H2,1-3H3,(H,29,30)