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

Systemtic Name: 6-(1-oxidanylbutyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 6-(1-hydroxybutyl)-9-oxo-xanthene-2-carboxylic acid CAS Name: 6-(1-hydroxybutyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 6-(1-hydroxybutyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 6-(1-hydroxybutyl)-9-keto-xanthene-2-carboxylic acid Formula: C18H16O5 MolecularWeight: 312.31664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16O5/c1-2-3-14(19)10-4-6-12-16(9-10)23-15-7-5-11(18(21)22)8-13(15)17(12)20/h4-9,14,19H,2-3H2,1H3,(H,21,22)