2-oxidanylidene-4-phenyl-3-propan-2-ylidene-azetidine-1-sulfonic acid

Systemtic Name: 2-oxidanylidene-4-phenyl-3-propan-2-ylidene-azetidine-1-sulfonic acid Openeye Name: 3-isopropylidene-2-oxo-4-phenyl-azetidine-1-sulfonic acid CAS Name: 2-oxo-4-phenyl-3-propan-2-ylidene-1-azetidinesulfonic acid IUPAC Name: 2-oxo-4-phenyl-3-propan-2-ylideneazetidine-1-sulfonic acid Traditional Name: 3-isopropylidene-2-keto-4-phenyl-azetidine-1-sulfonic acid Formula: C12H13NO4S MolecularWeight: 267.30092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1C(N(C1=O)S(=O)(=O)O)C2=CC=CC=C2)C

Isomeric SMILES

CC(=C1C(N(C1=O)S(=O)(=O)O)C2=CC=CC=C2)C

InChI

InChI=1S/C12H13NO4S/c1-8(2)10-11(9-6-4-3-5-7-9)13(12(10)14)18(15,16)17/h3-7,11H,1-2H3,(H,15,16,17)