(Z)-1-isothiocyanatohex-1-ene-2-sulfonic acid

Systemtic Name: (Z)-1-isothiocyanatohex-1-ene-2-sulfonic acid Openeye Name: (Z)-1-isothiocyanatohex-1-ene-2-sulfonic acid CAS Name: (Z)-1-isothiocyanato-1-hexene-2-sulfonic acid IUPAC Name: (Z)-1-isothiocyanatohex-1-ene-2-sulfonic acid Traditional Name: (Z)-1-isothiocyanatohex-1-ene-2-sulfonic acid Formula: C7H11NO3S2 MolecularWeight: 221.29714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=CN=C=S)S(=O)(=O)O

Isomeric SMILES

CCCC/C(=C/N=C=S)/S(=O)(=O)O

InChI

InChI=1S/C7H11NO3S2/c1-2-3-4-7(5-8-6-12)13(9,10)11/h5H,2-4H2,1H3,(H,9,10,11)/b7-5-