sodium (4R)-1-[(2R)-1-(diphenylmethyl)oxy-3-methyl-1-oxidanylidene-but-3-en-2-yl]-2-oxidanylidene-4-sulfonatosulfanyl-azetidine

Systemtic Name: sodium (4R)-1-[(2R)-1-(diphenylmethyl)oxy-3-methyl-1-oxidanylidene-but-3-en-2-yl]-2-oxidanylidene-4-sulfonatosulfanyl-azetidine Openeye Name: sodium (4R)-1-[(1R)-1-benzhydryloxycarbonyl-2-methyl-allyl]-2-oxo-4-sulfonatosulfanyl-azetidine CAS Name: sodium (4R)-1-[(2R)-1-(diphenylmethyl)oxy-3-methyl-1-oxobut-3-en-2-yl]-2-oxo-4-(sulfonatothio)azetidine IUPAC Name: sodium (4R)-1-[(2R)-1-benzhydryloxy-3-methyl-1-oxobut-3-en-2-yl]-2-oxo-4-sulfonatosulfanylazetidine Traditional Name: sodium (4R)-1-[(1R)-1-benzhydryloxycarbonyl-2-methyl-allyl]-2-keto-4-(sulfonatothio)azetidine Formula: C21H20NNaO6S2 MolecularWeight: 469.50637

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3C(CC3=O)SS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC(=C)[C@H](C(=O)OC(C1=CC=CC=C1)C2=CC=CC=C2)N3[C@@H](CC3=O)SS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H21NO6S2.Na/c1-14(2)19(22-17(23)13-18(22)29-30(25,26)27)21(24)28-20(15-9-5-3-6-10-15)16-11-7-4-8-12-16;/h3-12,18-20H,1,13H2,2H3,(H,25,26,27);/q;+1/p-1/t18-,19-;/m1./s1