2-ethynyl-4-oxidanylidene-3-[(triphenylmethyl)amino]azetidine-1-sulfonic acid

Systemtic Name: 2-ethynyl-4-oxidanylidene-3-[(triphenylmethyl)amino]azetidine-1-sulfonic acid Openeye Name: 2-ethynyl-4-oxo-3-(tritylamino)azetidine-1-sulfonic acid CAS Name: 2-ethynyl-4-oxo-3-[(triphenylmethyl)amino]-1-azetidinesulfonic acid IUPAC Name: 2-ethynyl-4-oxo-3-(tritylamino)azetidine-1-sulfonic acid Traditional Name: 2-ethynyl-4-keto-3-(tritylamino)azetidine-1-sulfonic acid Formula: C24H20N2O4S MolecularWeight: 432.4916

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1C(C(=O)N1S(=O)(=O)O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

C#CC1C(C(=O)N1S(=O)(=O)O)NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C24H20N2O4S/c1-2-21-22(23(27)26(21)31(28,29)30)25-24(18-12-6-3-7-13-18,19-14-8-4-9-15-19)20-16-10-5-11-17-20/h1,3-17,21-22,25H,(H,28,29,30)