3',6'-bis(2,2-dimethylpropanoyloxy)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-sulfonate

Systemtic Name: 3',6'-bis(2,2-dimethylpropanoyloxy)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-sulfonate Openeye Name: 3',6'-bis(2,2-dimethylpropanoyloxy)-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-sulfonate CAS Name: 3',6'-bis(2,2-dimethyl-1-oxopropoxy)-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]sulfonate IUPAC Name: 3',6'-bis(2,2-dimethylpropanoyloxy)-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-sulfonate Traditional Name: 3-keto-3',6'-dipivaloyloxy-spiro[phthalan-1,9'-xanthene]-5-sulfonate Formula: C30H27O10S- MolecularWeight: 579.59438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)S(=O)(=O)[O-])C(=O)O3)C5=C(O2)C=C(C=C5)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OC1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)S(=O)(=O)[O-])C(=O)O3)C5=C(O2)C=C(C=C5)OC(=O)C(C)(C)C

InChI

InChI=1S/C30H28O10S/c1-28(2,3)26(32)37-16-7-10-21-23(13-16)39-24-14-17(38-27(33)29(4,5)6)8-11-22(24)30(21)20-12-9-18(41(34,35)36)15-19(20)25(31)40-30/h7-15H,1-6H3,(H,34,35,36)/p-1