5-hexyl-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5-hexyl-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5-hexyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-hexyl-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5-hexyl-9-oxoxanthene-2-carboxylic acid Traditional Name: 5-hexyl-9-keto-xanthene-2-carboxylic acid Formula: C20H20O4 MolecularWeight: 324.3704

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=CC2=C1OC3=C(C2=O)C=C(C=C3)C(=O)O

Isomeric SMILES

CCCCCCC1=CC=CC2=C1OC3=C(C2=O)C=C(C=C3)C(=O)O

InChI

InChI=1S/C20H20O4/c1-2-3-4-5-7-13-8-6-9-15-18(21)16-12-14(20(22)23)10-11-17(16)24-19(13)15/h6,8-12H,2-5,7H2,1H3,(H,22,23)