6-[(2E)-2-[[2,4-bis(oxidanylidene)cyclobutyl]methylidene]-3,3-dimethyl-5-sulfo-indol-1-yl]hexanoic acid

Systemtic Name: 6-[(2E)-2-[[2,4-bis(oxidanylidene)cyclobutyl]methylidene]-3,3-dimethyl-5-sulfo-indol-1-yl]hexanoic acid Openeye Name: 6-[(2E)-2-[(2,4-dioxocyclobutyl)methylene]-3,3-dimethyl-5-sulfo-indolin-1-yl]hexanoic acid CAS Name: 6-[(2E)-2-[(2,4-dioxocyclobutyl)methylidene]-3,3-dimethyl-5-sulfo-1-indolyl]hexanoic acid IUPAC Name: 6-[(2E)-2-[(2,4-dioxocyclobutyl)methylidene]-3,3-dimethyl-5-sulfoindol-1-yl]hexanoic acid Traditional Name: 6-[(2E)-2-[(2,4-diketocyclobutyl)methylene]-3,3-dimethyl-5-sulfo-indolin-1-yl]hexanoic acid Formula: C21H24NO7S+ MolecularWeight: 434.48276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC\1(C2=C(C=CC(=C2)S(=O)(=O)O)N(/C1=C/C3C(=O)[CH+]C3=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/h7-8,10-12,14H,3-6,9H2,1-2H3,(H-,25,26,27,28,29)/p+1/b19-11+