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2-(3-isocyanatophenyl)sulfanylethanoate

2-(3-isocyanatophenyl)sulfanylethanoate

Systemtic Name:2-(3-isocyanatophenyl)sulfanylethanoate
Openeye Name:2-(3-isocyanatophenyl)sulfanylacetate
CAS Name:2-[(3-isocyanatophenyl)thio]acetate
IUPAC Name:2-(3-isocyanatophenyl)sulfanylacetate
Traditional Name:2-[(3-isocyanatophenyl)thio]acetate
Formula: C9H6NO3S-
MolecularWeight: 208.21384
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)SCC(=O)[O-])N=C=O


Isomeric SMILES

C1=CC(=CC(=C1)SCC(=O)[O-])N=C=O


InChI

InChI=1S/C9H7NO3S/c11-6-10-7-2-1-3-8(4-7)14-5-9(12)13/h1-4H,5H2,(H,12,13)/p-1


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