1-(2-methylhex-2-en-3-ylsulfanyl)-4-nitro-benzene

Systemtic Name: 1-(2-methylhex-2-en-3-ylsulfanyl)-4-nitro-benzene Openeye Name: 1-(1-isopropylidenebutylsulfanyl)-4-nitro-benzene CAS Name: 1-(2-methylhex-2-en-3-ylthio)-4-nitrobenzene IUPAC Name: 1-(2-methylhex-2-en-3-ylsulfanyl)-4-nitrobenzene Traditional Name: 1-[(2-methyl-1-propyl-prop-1-enyl)thio]-4-nitro-benzene Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO2S/c1-4-5-13(10(2)3)17-12-8-6-11(7-9-12)14(15)16/h6-9H,4-5H2,1-3H3