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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC2=C(C=C1)OC3=C(C2=O)C(=C(C=C3)C(=O)O)C(C)OC(=O)C

Isomeric SMILES

CCCCCCCCC1=CC2=C(C=C1)OC3=C(C2=O)C(=C(C=C3)C(=O)O)C(C)OC(=O)C

InChI

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