2-methoxycarbonyl-4-oxidanylidene-3-[(2-phenyl-2-sulfo-ethanoyl)amino]azetidine-1-sulfonic acid

Systemtic Name: 2-methoxycarbonyl-4-oxidanylidene-3-[(2-phenyl-2-sulfo-ethanoyl)amino]azetidine-1-sulfonic acid Openeye Name: 2-methoxycarbonyl-4-oxo-3-[(2-phenyl-2-sulfo-acetyl)amino]azetidine-1-sulfonic acid CAS Name: 2-methoxycarbonyl-4-oxo-3-[(1-oxo-2-phenyl-2-sulfoethyl)amino]-1-azetidinesulfonic acid IUPAC Name: 2-methoxycarbonyl-4-oxo-3-[(2-phenyl-2-sulfoacetyl)amino]azetidine-1-sulfonic acid Traditional Name: 2-carbomethoxy-4-keto-3-[(2-phenyl-2-sulfo-acetyl)amino]azetidine-1-sulfonic acid Formula: C13H14N2O10S2 MolecularWeight: 422.38766

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(=O)N1S(=O)(=O)O)NC(=O)C(C2=CC=CC=C2)S(=O)(=O)O

Isomeric SMILES

COC(=O)C1C(C(=O)N1S(=O)(=O)O)NC(=O)C(C2=CC=CC=C2)S(=O)(=O)O

InChI

InChI=1S/C13H14N2O10S2/c1-25-13(18)9-8(12(17)15(9)27(22,23)24)14-11(16)10(26(19,20)21)7-5-3-2-4-6-7/h2-6,8-10H,1H3,(H,14,16)(H,19,20,21)(H,22,23,24)