1-nitro-4-prop-2-ynylsulfinyl-benzene

Systemtic Name: 1-nitro-4-prop-2-ynylsulfinyl-benzene Openeye Name: 1-nitro-4-prop-2-ynylsulfinyl-benzene CAS Name: 1-nitro-4-prop-2-ynylsulfinylbenzene IUPAC Name: 1-nitro-4-prop-2-ynylsulfinylbenzene Traditional Name: 1-nitro-4-propargylsulfinyl-benzene Formula: C9H7NO3S MolecularWeight: 209.22178

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Descriptors Computed from Structure

Canonical SMILES:

C#CCS(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

C#CCS(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C9H7NO3S/c1-2-7-14(13)9-5-3-8(4-6-9)10(11)12/h1,3-6H,7H2