2-[1,3-bis(oxidanylidene)isoindol-2-yl]oxysulfonyl-5-tert-butyl-benzoic acid

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]oxysulfonyl-5-tert-butyl-benzoic acid Openeye Name: 5-tert-butyl-2-(1,3-dioxoisoindolin-2-yl)oxysulfonyl-benzoic acid CAS Name: 5-tert-butyl-2-[(1,3-dioxo-2-isoindolyl)oxysulfonyl]benzoic acid IUPAC Name: 5-tert-butyl-2-(1,3-dioxoisoindol-2-yl)oxysulfonylbenzoic acid Traditional Name: 5-tert-butyl-2-phthalimidooxysulfonyl-benzoic acid Formula: C19H17NO7S MolecularWeight: 403.40578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)S(=O)(=O)ON2C(=O)C3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C19H17NO7S/c1-19(2,3)11-8-9-15(14(10-11)18(23)24)28(25,26)27-20-16(21)12-6-4-5-7-13(12)17(20)22/h4-10H,1-3H3,(H,23,24)