4-azanyl-4-methyl-pentan-2-one; [(3E,5R)-5,9-dimethyldeca-3,8-dienyl] hydrogen sulfate

Systemtic Name: 4-azanyl-4-methyl-pentan-2-one; [(3E,5R)-5,9-dimethyldeca-3,8-dienyl] hydrogen sulfate Openeye Name: 4-amino-4-methyl-pentan-2-one; [(3E,5R)-5,9-dimethyldeca-3,8-dienyl] hydrogen sulfate CAS Name: 4-amino-4-methyl-2-pentanone; sulfuric acid [(3E,5R)-5,9-dimethyldeca-3,8-dienyl] ester IUPAC Name: 4-amino-4-methylpentan-2-one; [(3E,5R)-5,9-dimethyldeca-3,8-dienyl] hydrogen sulfate Traditional Name: 4-amino-4-methyl-pentan-2-one; sulfuric acid [(3E,5R)-5,9-dimethyldeca-3,8-dienyl] ester Formula: C18H35NO5S MolecularWeight: 377.5392

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC=C(C)C)C=CCCOS(=O)(=O)O.CC(=O)CC(C)(C)N

Isomeric SMILES

C[C@H](CCC=C(C)C)/C=C/CCOS(=O)(=O)O.CC(=O)CC(C)(C)N

InChI

InChI=1S/C12H22O4S.C6H13NO/c1-11(2)7-6-9-12(3)8-4-5-10-16-17(13,14)15;1-5(8)4-6(2,3)7/h4,7-8,12H,5-6,9-10H2,1-3H3,(H,13,14,15);4,7H2,1-3H3/b8-4+;/t12-;/m0./s1