1-[(1E)-4,4-bis(methylsulfanyl)-2-nitro-buta-1,3-dienyl]-3-methoxy-benzene

Systemtic Name: 1-[(1E)-4,4-bis(methylsulfanyl)-2-nitro-buta-1,3-dienyl]-3-methoxy-benzene Openeye Name: 1-[(1E)-4,4-bis(methylsulfanyl)-2-nitro-buta-1,3-dienyl]-3-methoxy-benzene CAS Name: 1-[(1E)-4,4-bis(methylthio)-2-nitrobuta-1,3-dienyl]-3-methoxybenzene IUPAC Name: 1-[(1E)-4,4-bis(methylsulfanyl)-2-nitrobuta-1,3-dienyl]-3-methoxybenzene Traditional Name: 1-[(1E)-4,4-bis(methylthio)-2-nitro-buta-1,3-dienyl]-3-methoxy-benzene Formula: C13H15NO3S2 MolecularWeight: 297.3931

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C=C(C=C(SC)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)/C=C(\C=C(SC)SC)/[N+](=O)[O-]

InChI

InChI=1S/C13H15NO3S2/c1-17-12-6-4-5-10(8-12)7-11(14(15)16)9-13(18-2)19-3/h4-9H,1-3H3/b11-7+