2-[(4-methylphenyl)sulfonylcarbamoyloxy]propane-1,2,3-tricarboxylic acid

Systemtic Name: 2-[(4-methylphenyl)sulfonylcarbamoyloxy]propane-1,2,3-tricarboxylic acid Openeye Name: 2-(p-tolylsulfonylcarbamoyloxy)propane-1,2,3-tricarboxylic acid CAS Name: 2-[[(4-methylphenyl)sulfonylamino]-oxomethoxy]propane-1,2,3-tricarboxylic acid IUPAC Name: 2-[(4-methylphenyl)sulfonylcarbamoyloxy]propane-1,2,3-tricarboxylic acid Traditional Name: 2-(tosylcarbamoyloxy)propane-1,2,3-tricarboxylic acid Formula: C14H15NO10S MolecularWeight: 389.3346

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OC(CC(=O)O)(CC(=O)O)C(=O)O

InChI

InChI=1S/C14H15NO10S/c1-8-2-4-9(5-3-8)26(23,24)15-13(22)25-14(12(20)21,6-10(16)17)7-11(18)19/h2-5H,6-7H2,1H3,(H,15,22)(H,16,17)(H,18,19)(H,20,21)