5,7-bis(3-methylbutyl)-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 5,7-bis(3-methylbutyl)-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 5,7-diisopentyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5,7-bis(3-methylbutyl)-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 5,7-bis(3-methylbutyl)-9-oxoxanthene-2-carboxylic acid Traditional Name: 5,7-diisoamyl-9-keto-xanthene-2-carboxylic acid Formula: C24H28O4 MolecularWeight: 380.47672

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)CCC(C)C

Isomeric SMILES

CC(C)CCC1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)CCC(C)C

InChI

InChI=1S/C24H28O4/c1-14(2)5-7-16-11-17(8-6-15(3)4)23-20(12-16)22(25)19-13-18(24(26)27)9-10-21(19)28-23/h9-15H,5-8H2,1-4H3,(H,26,27)