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2-nitro-N-[(9S)-pentacos-10-yn-9-yl]benzenesulfonohydrazide

2-nitro-N-[(9S)-pentacos-10-yn-9-yl]benzenesulfonohydrazide

Systemtic Name:2-nitro-N-[(9S)-pentacos-10-yn-9-yl]benzenesulfonohydrazide
Openeye Name:2-nitro-N-[(1S)-1-octylheptadec-2-ynyl]benzenesulfonohydrazide
CAS Name:2-nitro-N-[(9S)-pentacos-10-yn-9-yl]benzenesulfonohydrazide
IUPAC Name:2-nitro-N-[(9S)-pentacos-10-yn-9-yl]benzenesulfonohydrazide
Traditional Name:2-nitro-N-[(1S)-1-octylheptadec-2-ynyl]benzenesulfonohydrazide
Formula: C31H53N3O4S
MolecularWeight: 563.83522
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC#CC(CCCCCCCC)N(N)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]


Isomeric SMILES

CCCCCCCCCCCCCCC#C[C@H](CCCCCCCC)N(N)S(=O)(=O)C1=CC=CC=C1[N+](=O)[O-]


InChI

InChI=1S/C31H53N3O4S/c1-3-5-7-9-11-12-13-14-15-16-17-18-20-22-26-29(25-21-19-10-8-6-4-2)33(32)39(37,38)31-28-24-23-27-30(31)34(35)36/h23-24,27-29H,3-21,25,32H2,1-2H3/t29-/m0/s1


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