2-[4-[bis(2-thiocyanatoethyl)amino]phenyl]ethanoic acid

Systemtic Name: 2-[4-[bis(2-thiocyanatoethyl)amino]phenyl]ethanoic acid Openeye Name: 2-[4-[bis(2-thiocyanatoethyl)amino]phenyl]acetic acid CAS Name: 2-[4-[bis(2-thiocyanatoethyl)amino]phenyl]acetic acid IUPAC Name: 2-[4-[bis(2-thiocyanatoethyl)amino]phenyl]acetic acid Traditional Name: 2-[4-[bis(2-thiocyanatoethyl)amino]phenyl]acetic acid Formula: C14H15N3O2S2 MolecularWeight: 321.4178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)O)N(CCSC#N)CCSC#N

Isomeric SMILES

C1=CC(=CC=C1CC(=O)O)N(CCSC#N)CCSC#N

InChI

InChI=1S/C14H15N3O2S2/c15-10-20-7-5-17(6-8-21-11-16)13-3-1-12(2-4-13)9-14(18)19/h1-4H,5-9H2,(H,18,19)