5-chloranyl-4-isothiocyanato-2-prop-2-enoxy-benzoate

Systemtic Name: 5-chloranyl-4-isothiocyanato-2-prop-2-enoxy-benzoate Openeye Name: 2-allyloxy-5-chloro-4-isothiocyanato-benzoate CAS Name: 5-chloro-4-isothiocyanato-2-prop-2-enoxybenzoate IUPAC Name: 5-chloro-4-isothiocyanato-2-prop-2-enoxybenzoate Traditional Name: 2-allyloxy-5-chloro-4-isothiocyanato-benzoate Formula: C11H7ClNO3S- MolecularWeight: 268.69618

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC(=C(C=C1C(=O)[O-])Cl)N=C=S

Isomeric SMILES

C=CCOC1=CC(=C(C=C1C(=O)[O-])Cl)N=C=S

InChI

InChI=1S/C11H8ClNO3S/c1-2-3-16-10-5-9(13-6-17)8(12)4-7(10)11(14)15/h2,4-5H,1,3H2,(H,14,15)/p-1