[5-(3-chloranyl-3-sulfanylidene-propyl)-1,2-oxazol-3-yl] benzenesulfonate

Systemtic Name: [5-(3-chloranyl-3-sulfanylidene-propyl)-1,2-oxazol-3-yl] benzenesulfonate Openeye Name: [5-(3-chloro-3-thioxo-propyl)isoxazol-3-yl] benzenesulfonate CAS Name: benzenesulfonic acid [5-(3-chloro-3-sulfanylidenepropyl)-3-isoxazolyl] ester IUPAC Name: [5-(3-chloro-3-sulfanylidenepropyl)-1,2-oxazol-3-yl] benzenesulfonate Traditional Name: benzenesulfonic acid [5-(3-chloro-3-thioxo-propyl)isoxazol-3-yl] ester Formula: C12H10ClNO4S2 MolecularWeight: 331.7951

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)OC2=NOC(=C2)CCC(=S)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)OC2=NOC(=C2)CCC(=S)Cl

InChI

InChI=1S/C12H10ClNO4S2/c13-11(19)7-6-9-8-12(14-17-9)18-20(15,16)10-4-2-1-3-5-10/h1-5,8H,6-7H2