6-chloranyl-5-(cyclopentylmethoxy)-4-ethylsulfonyl-5-(3-oxidanylidenecyclohexen-1-yl)cyclohexa-1,3-diene-1-carboxylic acid

Systemtic Name: 6-chloranyl-5-(cyclopentylmethoxy)-4-ethylsulfonyl-5-(3-oxidanylidenecyclohexen-1-yl)cyclohexa-1,3-diene-1-carboxylic acid Openeye Name: 6-chloro-5-(cyclopentylmethoxy)-4-ethylsulfonyl-5-(3-oxocyclohexen-1-yl)cyclohexa-1,3-diene-1-carboxylic acid CAS Name: 6-chloro-5-(cyclopentylmethoxy)-4-ethylsulfonyl-5-(3-oxo-1-cyclohexenyl)-1-cyclohexa-1,3-dienecarboxylic acid IUPAC Name: 6-chloro-5-(cyclopentylmethoxy)-4-ethylsulfonyl-5-(3-oxocyclohexen-1-yl)cyclohexa-1,3-diene-1-carboxylic acid Traditional Name: 6-chloro-5-(cyclopentylmethoxy)-4-esyl-5-(3-ketocyclohexen-1-yl)cyclohexa-1,3-diene-1-carboxylic acid Formula: C21H27ClO6S MolecularWeight: 442.95348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C(C1(C2=CC(=O)CCC2)OCC3CCCC3)Cl)C(=O)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C(C1(C2=CC(=O)CCC2)OCC3CCCC3)Cl)C(=O)O

InChI

InChI=1S/C21H27ClO6S/c1-2-29(26,27)18-11-10-17(20(24)25)19(22)21(18,15-8-5-9-16(23)12-15)28-13-14-6-3-4-7-14/h10-12,14,19H,2-9,13H2,1H3,(H,24,25)