[[(2E)-3,7-dimethylocta-2,6-dienoxy]carbonylamino] 4-methylbenzenesulfonate

Systemtic Name: [[(2E)-3,7-dimethylocta-2,6-dienoxy]carbonylamino] 4-methylbenzenesulfonate Openeye Name: [[(2E)-3,7-dimethylocta-2,6-dienoxy]carbonylamino] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [[[(2E)-3,7-dimethylocta-2,6-dienoxy]-oxomethyl]amino] ester IUPAC Name: [[(2E)-3,7-dimethylocta-2,6-dienoxy]carbonylamino] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [[(2E)-3,7-dimethylocta-2,6-dienoxy]carbonylamino] ester Formula: C18H25NO5S MolecularWeight: 367.4598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)ONC(=O)OCC=C(C)CCC=C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)ONC(=O)OC/C=C(\C)/CCC=C(C)C

InChI

InChI=1S/C18H25NO5S/c1-14(2)6-5-7-15(3)12-13-23-18(20)19-24-25(21,22)17-10-8-16(4)9-11-17/h6,8-12H,5,7,13H2,1-4H3,(H,19,20)/b15-12+