1-(3,3-dimethylpent-1-en-2-ylsulfanyl)-4-nitro-benzene

Systemtic Name: 1-(3,3-dimethylpent-1-en-2-ylsulfanyl)-4-nitro-benzene Openeye Name: 1-(2,2-dimethyl-1-methylene-butyl)sulfanyl-4-nitro-benzene CAS Name: 1-(3,3-dimethylpent-1-en-2-ylthio)-4-nitrobenzene IUPAC Name: 1-(3,3-dimethylpent-1-en-2-ylsulfanyl)-4-nitrobenzene Traditional Name: 1-(1-tert-amylvinylthio)-4-nitro-benzene Formula: C13H17NO2S MolecularWeight: 251.34458

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Descriptors Computed from Structure

Canonical SMILES:

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