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

Systemtic Name: 5-(1-acetyloxyethyl)-7-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-(1-acetoxyethyl)-7-octoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-(1-acetyloxyethyl)-7-octoxy-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-(1-acetyloxyethyl)-7-octoxy-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-(1-acetoxyethyl)-9-keto-7-octoxy-xanthene-2-carboxylic acid Formula: C26H30O7 MolecularWeight: 454.5122

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(C)OC(=O)C

Isomeric SMILES

CCCCCCCCOC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(C)OC(=O)C

InChI

InChI=1S/C26H30O7/c1-4-5-6-7-8-9-12-31-19-14-20(16(2)32-17(3)27)25-22(15-19)24(28)21-13-18(26(29)30)10-11-23(21)33-25/h10-11,13-16H,4-9,12H2,1-3H3,(H,29,30)