4-[1-[(3,5-dinitrophenyl)methylsulfanyl]ethyl]phenol

Systemtic Name: 4-[1-[(3,5-dinitrophenyl)methylsulfanyl]ethyl]phenol Openeye Name: 4-[1-[(3,5-dinitrophenyl)methylsulfanyl]ethyl]phenol CAS Name: 4-[1-[(3,5-dinitrophenyl)methylthio]ethyl]phenol IUPAC Name: 4-[1-[(3,5-dinitrophenyl)methylsulfanyl]ethyl]phenol Traditional Name: 4-[1-[(3,5-dinitrobenzyl)thio]ethyl]phenol Formula: C15H14N2O5S MolecularWeight: 334.34706

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)O)SCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=C(C=C1)O)SCC2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O5S/c1-10(12-2-4-15(18)5-3-12)23-9-11-6-13(16(19)20)8-14(7-11)17(21)22/h2-8,10,18H,9H2,1H3