1-[(E)-4-methylhex-2-en-3-yl]sulfanyl-4-nitro-benzene

Systemtic Name: 1-[(E)-4-methylhex-2-en-3-yl]sulfanyl-4-nitro-benzene Openeye Name: 1-[(1E)-1-ethylidene-2-methyl-butyl]sulfanyl-4-nitro-benzene CAS Name: 1-[[(E)-4-methylhex-2-en-3-yl]thio]-4-nitrobenzene IUPAC Name: 1-[(E)-4-methylhex-2-en-3-yl]sulfanyl-4-nitrobenzene Traditional Name: 1-nitro-4-[[(E)-1-sec-butylprop-1-enyl]thio]benzene Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=CC)SC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CCC(C)/C(=C\C)/SC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H17NO2S/c1-4-10(3)13(5-2)17-12-8-6-11(7-9-12)14(15)16/h5-10H,4H2,1-3H3/b13-5+