phenyl 4-isothiocyanato-2-oxidanyl-benzoate

Systemtic Name: phenyl 4-isothiocyanato-2-oxidanyl-benzoate Openeye Name: phenyl 2-hydroxy-4-isothiocyanato-benzoate CAS Name: 2-hydroxy-4-isothiocyanatobenzoic acid phenyl ester IUPAC Name: phenyl 2-hydroxy-4-isothiocyanatobenzoate Traditional Name: 2-hydroxy-4-isothiocyanato-benzoic acid phenyl ester Formula: C14H9NO3S MolecularWeight: 271.29116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N=C=S)O

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)C2=C(C=C(C=C2)N=C=S)O

InChI

InChI=1S/C14H9NO3S/c16-13-8-10(15-9-19)6-7-12(13)14(17)18-11-4-2-1-3-5-11/h1-8,16H