3,6-diethylbicyclo[3.1.0]hexa-1,3,5-triene; 2-formamidoethanesulfinate

Systemtic Name: 3,6-diethylbicyclo[3.1.0]hexa-1,3,5-triene; 2-formamidoethanesulfinate Openeye Name: 3,6-diethylbicyclo[3.1.0]hexa-1,3,5-triene; 2-formamidoethanesulfinate CAS Name: 3,6-diethylbicyclo[3.1.0]hexa-1,3,5-triene; 2-formamidoethanesulfinate IUPAC Name: 3,6-diethylbicyclo[3.1.0]hexa-1,3,5-triene; 2-formamidoethanesulfinate Traditional Name: 3,6-diethylbicyclo[3.1.0]hexa-1,3,5-triene; 2-formamidoethanesulfinate Formula: C13H18NO3S- MolecularWeight: 268.35192

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C2=C1)CC.C(CS(=O)[O-])NC=O

Isomeric SMILES

CCC1=CC2=C(C2=C1)CC.C(CS(=O)[O-])NC=O

InChI

InChI=1S/C10H12.C3H7NO3S/c1-3-7-5-9-8(4-2)10(9)6-7;5-3-4-1-2-8(6)7/h5-6H,3-4H2,1-2H3;3H,1-2H2,(H,4,5)(H,6,7)/p-1