ethyl 4-[2-(2-sulfanylethylamino)ethylamino]benzoate; sulfuric acid

Systemtic Name: ethyl 4-[2-(2-sulfanylethylamino)ethylamino]benzoate; sulfuric acid Openeye Name: ethyl 4-[2-(2-sulfanylethylamino)ethylamino]benzoate; sulfuric acid CAS Name: 4-[2-(2-mercaptoethylamino)ethylamino]benzoic acid ethyl ester; sulfuric acid IUPAC Name: ethyl 4-[2-(2-sulfanylethylamino)ethylamino]benzoate; sulfuric acid Traditional Name: 4-[2-(2-mercaptoethylamino)ethylamino]benzoic acid ethyl ester; sulfuric acid Formula: C13H22N2O6S2 MolecularWeight: 366.45358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NCCNCCS.OS(=O)(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NCCNCCS.OS(=O)(=O)O

InChI

InChI=1S/C13H20N2O2S.H2O4S/c1-2-17-13(16)11-3-5-12(6-4-11)15-8-7-14-9-10-18;1-5(2,3)4/h3-6,14-15,18H,2,7-10H2,1H3;(H2,1,2,3,4)