1-chloranyl-4-nitro-2-prop-2-ynylsulfonyl-benzene

Systemtic Name: 1-chloranyl-4-nitro-2-prop-2-ynylsulfonyl-benzene Openeye Name: 1-chloro-4-nitro-2-prop-2-ynylsulfonyl-benzene CAS Name: 1-chloro-4-nitro-2-prop-2-ynylsulfonylbenzene IUPAC Name: 1-chloro-4-nitro-2-prop-2-ynylsulfonylbenzene Traditional Name: 1-chloro-4-nitro-2-propargylsulfonyl-benzene Formula: C9H6ClNO4S MolecularWeight: 259.66624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H6ClNO4S/c1-2-5-16(14,15)9-6-7(11(12)13)3-4-8(9)10/h1,3-4,6H,5H2