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

Systemtic Name: 5-octyl-9-oxidanylidene-7-(1-oxidanylpropyl)xanthene-2-carboxylic acid Openeye Name: 7-(1-hydroxypropyl)-5-octyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-(1-hydroxypropyl)-5-octyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-(1-hydroxypropyl)-5-octyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-(1-hydroxypropyl)-9-keto-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(CC)O)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

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

InChI

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