3-[1-(phenylcarbonyloxy)ethoxycarbonylamino]propane-1-sulfonic acid

Systemtic Name: 3-[1-(phenylcarbonyloxy)ethoxycarbonylamino]propane-1-sulfonic acid Openeye Name: 3-(1-benzoyloxyethoxycarbonylamino)propane-1-sulfonic acid CAS Name: 3-[[1-benzoyloxyethoxy(oxo)methyl]amino]-1-propanesulfonic acid IUPAC Name: 3-(1-benzoyloxyethoxycarbonylamino)propane-1-sulfonic acid Traditional Name: 3-(1-benzoyloxyethoxycarbonylamino)propane-1-sulfonic acid Formula: C13H17NO7S MolecularWeight: 331.34158

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC(=O)C1=CC=CC=C1)OC(=O)NCCCS(=O)(=O)O

Isomeric SMILES

CC(OC(=O)C1=CC=CC=C1)OC(=O)NCCCS(=O)(=O)O

InChI

InChI=1S/C13H17NO7S/c1-10(20-12(15)11-6-3-2-4-7-11)21-13(16)14-8-5-9-22(17,18)19/h2-4,6-7,10H,5,8-9H2,1H3,(H,14,16)(H,17,18,19)