(2E)-3,3-dimethyl-2-[(2-oxidanidyl-4-oxidanylidene-cyclobut-2-en-1-yl)methylidene]-1-(6-oxidanyl-6-oxidanylidene-hexyl)indole-5-sulfonate

Systemtic Name: (2E)-3,3-dimethyl-2-[(2-oxidanidyl-4-oxidanylidene-cyclobut-2-en-1-yl)methylidene]-1-(6-oxidanyl-6-oxidanylidene-hexyl)indole-5-sulfonate Openeye Name: (2E)-1-(6-hydroxy-6-oxo-hexyl)-3,3-dimethyl-2-[(2-oxido-4-oxo-cyclobut-2-en-1-yl)methylene]indoline-5-sulfonate CAS Name: (2E)-1-(6-hydroxy-6-oxohexyl)-3,3-dimethyl-2-[(2-oxido-4-oxo-1-cyclobut-2-enyl)methylidene]-5-indolesulfonate IUPAC Name: (2E)-1-(6-hydroxy-6-oxohexyl)-3,3-dimethyl-2-[(2-oxido-4-oxocyclobut-2-en-1-yl)methylidene]indole-5-sulfonate Traditional Name: (2E)-1-(6-hydroxy-6-keto-hexyl)-2-[(4-keto-2-oxido-cyclobut-2-en-1-yl)methylene]-3,3-dimethyl-indoline-5-sulfonate Formula: C21H22NO7S- MolecularWeight: 432.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)S(=O)(=O)[O-])N(C1=CC3C(=[C+]C3=O)[O-])CCCCCC(=O)O)C

Isomeric SMILES

CC\1(C2=C(C=CC(=C2)S(=O)(=O)[O-])N(/C1=C/C3C(=[C+]C3=O)[O-])CCCCCC(=O)O)C

InChI

InChI=1S/C21H23NO7S/c1-21(2)15-10-13(30(27,28)29)7-8-16(15)22(9-5-3-4-6-20(25)26)19(21)11-14-17(23)12-18(14)24/h7-8,10-11,14H,3-6,9H2,1-2H3,(H2-,23,24,25,26,27,28,29)/p-1/b19-11+