2-[(3-nitrophenyl)methyl]tridecane-1-thiol

Systemtic Name: 2-[(3-nitrophenyl)methyl]tridecane-1-thiol Openeye Name: 2-[(3-nitrophenyl)methyl]tridecane-1-thiol CAS Name: 2-[(3-nitrophenyl)methyl]-1-tridecanethiol IUPAC Name: 2-[(3-nitrophenyl)methyl]tridecane-1-thiol Traditional Name: 2-(3-nitrobenzyl)tridecane-1-thiol Formula: C20H33NO2S MolecularWeight: 351.54652

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CC1=CC(=CC=C1)[N+](=O)[O-])CS

Isomeric SMILES

CCCCCCCCCCCC(CC1=CC(=CC=C1)[N+](=O)[O-])CS

InChI

InChI=1S/C20H33NO2S/c1-2-3-4-5-6-7-8-9-10-12-19(17-24)15-18-13-11-14-20(16-18)21(22)23/h11,13-14,16,19,24H,2-10,12,15,17H2,1H3