1-[(E)-3-(4-methoxyphenoxy)-2-methyl-but-2-enyl]sulfanyl-2,4-dinitro-benzene

Systemtic Name: 1-[(E)-3-(4-methoxyphenoxy)-2-methyl-but-2-enyl]sulfanyl-2,4-dinitro-benzene Openeye Name: 1-[(E)-3-(4-methoxyphenoxy)-2-methyl-but-2-enyl]sulfanyl-2,4-dinitro-benzene CAS Name: 1-[[(E)-3-(4-methoxyphenoxy)-2-methylbut-2-enyl]thio]-2,4-dinitrobenzene IUPAC Name: 1-[(E)-3-(4-methoxyphenoxy)-2-methylbut-2-enyl]sulfanyl-2,4-dinitrobenzene Traditional Name: 1-[[(E)-3-(4-methoxyphenoxy)-2-methyl-but-2-enyl]thio]-2,4-dinitro-benzene Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C)OC1=CC=C(C=C1)OC)CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C/C(=C(/C)\OC1=CC=C(C=C1)OC)/CSC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O6S/c1-12(13(2)26-16-7-5-15(25-3)6-8-16)11-27-18-9-4-14(19(21)22)10-17(18)20(23)24/h4-10H,11H2,1-3H3/b13-12+