4-[2-(2-azanylpropyl)phenyl]sulfanylphenol; ethanedioic acid

Systemtic Name: 4-[2-(2-azanylpropyl)phenyl]sulfanylphenol; ethanedioic acid Openeye Name: 4-[2-(2-aminopropyl)phenyl]sulfanylphenol; oxalic acid CAS Name: 4-[[2-(2-aminopropyl)phenyl]thio]phenol; oxalic acid IUPAC Name: 4-[2-(2-aminopropyl)phenyl]sulfanylphenol; oxalic acid Traditional Name: 4-[[2-(2-aminopropyl)phenyl]thio]phenol; oxalic acid Formula: C32H36N2O6S2 MolecularWeight: 608.76804

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1SC2=CC=C(C=C2)O)N.CC(CC1=CC=CC=C1SC2=CC=C(C=C2)O)N.C(=O)(C(=O)O)O

Isomeric SMILES

CC(CC1=CC=CC=C1SC2=CC=C(C=C2)O)N.CC(CC1=CC=CC=C1SC2=CC=C(C=C2)O)N.C(=O)(C(=O)O)O

InChI

InChI=1S/2C15H17NOS.C2H2O4/c2*1-11(16)10-12-4-2-3-5-15(12)18-14-8-6-13(17)7-9-14;3-1(4)2(5)6/h2*2-9,11,17H,10,16H2,1H3;(H,3,4)(H,5,6)