[2-[4-(2-sulfanylethylamino)butyl]phenyl] hydrogen sulfate

Systemtic Name: [2-[4-(2-sulfanylethylamino)butyl]phenyl] hydrogen sulfate Openeye Name: [2-[4-(2-sulfanylethylamino)butyl]phenyl] hydrogen sulfate CAS Name: sulfuric acid [2-[4-(2-mercaptoethylamino)butyl]phenyl] ester IUPAC Name: [2-[4-(2-sulfanylethylamino)butyl]phenyl] hydrogen sulfate Traditional Name: sulfuric acid [2-[4-(2-mercaptoethylamino)butyl]phenyl] ester Formula: C12H19NO4S2 MolecularWeight: 305.41356

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCCNCCS)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)CCCCNCCS)OS(=O)(=O)O

InChI

InChI=1S/C12H19NO4S2/c14-19(15,16)17-12-7-2-1-5-11(12)6-3-4-8-13-9-10-18/h1-2,5,7,13,18H,3-4,6,8-10H2,(H,14,15,16)