4-tert-butyl-1-(2-ethylhexylsulfanyl)-2-nitro-benzene

Systemtic Name: 4-tert-butyl-1-(2-ethylhexylsulfanyl)-2-nitro-benzene Openeye Name: 4-tert-butyl-1-(2-ethylhexylsulfanyl)-2-nitro-benzene CAS Name: 4-tert-butyl-1-(2-ethylhexylthio)-2-nitrobenzene IUPAC Name: 4-tert-butyl-1-(2-ethylhexylsulfanyl)-2-nitrobenzene Traditional Name: 4-tert-butyl-1-(2-ethylhexylthio)-2-nitro-benzene Formula: C18H29NO2S MolecularWeight: 323.49336

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CSC1=C(C=C(C=C1)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCCCC(CC)CSC1=C(C=C(C=C1)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H29NO2S/c1-6-8-9-14(7-2)13-22-17-11-10-15(18(3,4)5)12-16(17)19(20)21/h10-12,14H,6-9,13H2,1-5H3