5-[cyclopropyl-[(2-methylpropan-2-yl)oxy]methyl]-9-oxidanylidene-7-propan-2-yl-xanthene-2-carboxylic acid

Systemtic Name: 5-[cyclopropyl-[(2-methylpropan-2-yl)oxy]methyl]-9-oxidanylidene-7-propan-2-yl-xanthene-2-carboxylic acid Openeye Name: 5-[tert-butoxy(cyclopropyl)methyl]-7-isopropyl-9-oxo-xanthene-2-carboxylic acid CAS Name: 5-[cyclopropyl-[(2-methylpropan-2-yl)oxy]methyl]-9-oxo-7-propan-2-yl-2-xanthenecarboxylic acid IUPAC Name: 5-[cyclopropyl-[(2-methylpropan-2-yl)oxy]methyl]-9-oxo-7-propan-2-ylxanthene-2-carboxylic acid Traditional Name: 5-[tert-butoxy(cyclopropyl)methyl]-7-isopropyl-9-keto-xanthene-2-carboxylic acid Formula: C25H28O5 MolecularWeight: 408.48682

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(C4CC4)OC(C)(C)C

Isomeric SMILES

CC(C)C1=CC(=C2C(=C1)C(=O)C3=C(O2)C=CC(=C3)C(=O)O)C(C4CC4)OC(C)(C)C

InChI

InChI=1S/C25H28O5/c1-13(2)16-11-18-21(26)17-10-15(24(27)28)8-9-20(17)29-23(18)19(12-16)22(14-6-7-14)30-25(3,4)5/h8-14,22H,6-7H2,1-5H3,(H,27,28)