1-(3-butyl-3-chloranyl-heptan-2-yl)sulfanyl-4-nitro-benzene

Systemtic Name: 1-(3-butyl-3-chloranyl-heptan-2-yl)sulfanyl-4-nitro-benzene Openeye Name: 1-(2-butyl-2-chloro-1-methyl-hexyl)sulfanyl-4-nitro-benzene CAS Name: 1-[(3-butyl-3-chloroheptan-2-yl)thio]-4-nitrobenzene IUPAC Name: 1-(3-butyl-3-chloroheptan-2-yl)sulfanyl-4-nitrobenzene Traditional Name: 1-[(2-butyl-2-chloro-1-methyl-hexyl)thio]-4-nitro-benzene Formula: C17H26ClNO2S MolecularWeight: 343.91184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClNO2S/c1-4-6-12-17(18,13-7-5-2)14(3)22-16-10-8-15(9-11-16)19(20)21/h8-11,14H,4-7,12-13H2,1-3H3