[3-(4-nitrophenoxy)-2-oxidanyl-propyl] N-butylcarbamodithioate

Systemtic Name: [3-(4-nitrophenoxy)-2-oxidanyl-propyl] N-butylcarbamodithioate Openeye Name: [2-hydroxy-3-(4-nitrophenoxy)propyl] N-butylcarbamodithioate CAS Name: N-butylcarbamodithioic acid [2-hydroxy-3-(4-nitrophenoxy)propyl] ester IUPAC Name: [2-hydroxy-3-(4-nitrophenoxy)propyl] N-butylcarbamodithioate Traditional Name: N-butylcarbamodithioic acid [2-hydroxy-3-(4-nitrophenoxy)propyl] ester Formula: C14H20N2O4S2 MolecularWeight: 344.4496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)SCC(COC1=CC=C(C=C1)[N+](=O)[O-])O

Isomeric SMILES

CCCCNC(=S)SCC(COC1=CC=C(C=C1)[N+](=O)[O-])O

InChI

InChI=1S/C14H20N2O4S2/c1-2-3-8-15-14(21)22-10-12(17)9-20-13-6-4-11(5-7-13)16(18)19/h4-7,12,17H,2-3,8-10H2,1H3,(H,15,21)