1-(2-deuteriooctan-2-ylsulfonyl)-4-nitro-benzene

Systemtic Name: 1-(2-deuteriooctan-2-ylsulfonyl)-4-nitro-benzene Openeye Name: 1-(1-deuterio-1-methyl-heptyl)sulfonyl-4-nitro-benzene CAS Name: 1-(2-deuteriooctan-2-ylsulfonyl)-4-nitrobenzene IUPAC Name: 1-(2-deuteriooctan-2-ylsulfonyl)-4-nitrobenzene Traditional Name: 1-(1-deuterio-1-methyl-heptyl)sulfonyl-4-nitro-benzene Formula: C14H21NO4S MolecularWeight: 300.392002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

[2H]C(C)(CCCCCC)S(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C14H21NO4S/c1-3-4-5-6-7-12(2)20(18,19)14-10-8-13(9-11-14)15(16)17/h8-12H,3-7H2,1-2H3/i12D