7-[1-[(2-methylpropan-2-yl)oxy]ethyl]-5-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid

Systemtic Name: 7-[1-[(2-methylpropan-2-yl)oxy]ethyl]-5-octoxy-9-oxidanylidene-xanthene-2-carboxylic acid Openeye Name: 7-(1-tert-butoxyethyl)-5-octoxy-9-oxo-xanthene-2-carboxylic acid CAS Name: 7-[1-[(2-methylpropan-2-yl)oxy]ethyl]-5-octoxy-9-oxo-2-xanthenecarboxylic acid IUPAC Name: 7-[1-[(2-methylpropan-2-yl)oxy]ethyl]-5-octoxy-9-oxoxanthene-2-carboxylic acid Traditional Name: 7-(1-tert-butoxyethyl)-9-keto-5-octoxy-xanthene-2-carboxylic acid Formula: C28H36O6 MolecularWeight: 468.58184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C2C(=CC(=C1)C(C)OC(C)(C)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

Isomeric SMILES

CCCCCCCCOC1=C2C(=CC(=C1)C(C)OC(C)(C)C)C(=O)C3=C(O2)C=CC(=C3)C(=O)O

InChI

InChI=1S/C28H36O6/c1-6-7-8-9-10-11-14-32-24-17-20(18(2)34-28(3,4)5)16-22-25(29)21-15-19(27(30)31)12-13-23(21)33-26(22)24/h12-13,15-18H,6-11,14H2,1-5H3,(H,30,31)