2-[3-[(4-pentoxyphenyl)methylsulfanyl]propyl]guanidine; sulfuric acid

Systemtic Name: 2-[3-[(4-pentoxyphenyl)methylsulfanyl]propyl]guanidine; sulfuric acid Openeye Name: 2-[3-[(4-pentoxyphenyl)methylsulfanyl]propyl]guanidine; sulfuric acid CAS Name: 2-[3-[(4-pentoxyphenyl)methylthio]propyl]guanidine; sulfuric acid IUPAC Name: 2-[3-[(4-pentoxyphenyl)methylsulfanyl]propyl]guanidine; sulfuric acid Traditional Name: 2-[3-[(4-amoxybenzyl)thio]propyl]guanidine; sulfuric acid Formula: C32H56N6O6S3 MolecularWeight: 717.01864

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)CSCCCN=C(N)N.CCCCCOC1=CC=C(C=C1)CSCCCN=C(N)N.OS(=O)(=O)O

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)CSCCCN=C(N)N.CCCCCOC1=CC=C(C=C1)CSCCCN=C(N)N.OS(=O)(=O)O

InChI

InChI=1S/2C16H27N3OS.H2O4S/c2*1-2-3-4-11-20-15-8-6-14(7-9-15)13-21-12-5-10-19-16(17)18;1-5(2,3)4/h2*6-9H,2-5,10-13H2,1H3,(H4,17,18,19);(H2,1,2,3,4)