5-chloranyl-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 6-ethyl-3,4-dihydro-2H-chromene-2-carboxylic acid

Systemtic Name: 5-chloranyl-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 6-ethyl-3,4-dihydro-2H-chromene-2-carboxylic acid Openeye Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 6-ethylchromane-2-carboxylic acid CAS Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 6-ethyl-3,4-dihydro-2H-1-benzopyran-2-carboxylic acid IUPAC Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 6-ethyl-3,4-dihydro-2H-chromene-2-carboxylic acid Traditional Name: 5-chloro-3$l^{6}-thia-2-azabicyclo[2.2.2]octa-1(6),4,7-triene 3,3-dioxide; 6-ethylchroman-2-carboxylic acid Formula: C18H18ClNO5S MolecularWeight: 395.85722

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)OC(CC2)C(=O)O.C1=CC2=C(C=C1NS2(=O)=O)Cl

Isomeric SMILES

CCC1=CC2=C(C=C1)OC(CC2)C(=O)O.C1=CC2=C(C=C1NS2(=O)=O)Cl

InChI

InChI=1S/C12H14O3.C6H4ClNO2S/c1-2-8-3-5-10-9(7-8)4-6-11(15-10)12(13)14;7-5-3-4-1-2-6(5)11(9,10)8-4/h3,5,7,11H,2,4,6H2,1H3,(H,13,14);1-3,8H