2,5-dibutoxy-1-(4-chlorophenyl)sulfanyl-3-nitro-benzene

Systemtic Name: 2,5-dibutoxy-1-(4-chlorophenyl)sulfanyl-3-nitro-benzene Openeye Name: 2,5-dibutoxy-1-(4-chlorophenyl)sulfanyl-3-nitro-benzene CAS Name: 2,5-dibutoxy-1-[(4-chlorophenyl)thio]-3-nitrobenzene IUPAC Name: 2,5-dibutoxy-1-(4-chlorophenyl)sulfanyl-3-nitrobenzene Traditional Name: 2,5-dibutoxy-1-[(4-chlorophenyl)thio]-3-nitro-benzene Formula: C20H24ClNO4S MolecularWeight: 409.92686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC(=C(C(=C1)[N+](=O)[O-])OCCCC)SC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCOC1=CC(=C(C(=C1)[N+](=O)[O-])OCCCC)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H24ClNO4S/c1-3-5-11-25-16-13-18(22(23)24)20(26-12-6-4-2)19(14-16)27-17-9-7-15(21)8-10-17/h7-10,13-14H,3-6,11-12H2,1-2H3