6-(1-oxidanylheptyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 6-(1-oxidanylheptyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-(1-hydroxyheptyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-(1-hydroxyheptyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-(1-hydroxyheptyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-(1-hydroxyheptyl)-9-keto-xanthene-2-carboxylic acid Formula: C21H22O5 MolecularWeight: 354.39638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)O

Isomeric SMILES

CCCCCCC(C1=CC2=C(C=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)O

InChI

InChI=1S/C21H22O5/c1-2-3-4-5-6-17(22)13-7-9-15-19(12-13)26-18-10-8-14(21(24)25)11-16(18)20(15)23/h7-12,17,22H,2-6H2,1H3,(H,24,25)