(1-deuterio-4-propan-2-ylidene-cyclohexyl) hydrogen sulfate

Systemtic Name: (1-deuterio-4-propan-2-ylidene-cyclohexyl) hydrogen sulfate Openeye Name: (1-deuterio-4-isopropylidene-cyclohexyl) hydrogen sulfate CAS Name: sulfuric acid (1-deuterio-4-propan-2-ylidenecyclohexyl) ester IUPAC Name: (1-deuterio-4-propan-2-ylidenecyclohexyl) hydrogen sulfate Traditional Name: sulfuric acid (1-deuterio-4-isopropylidene-cyclohexyl) ester Formula: C9H16O4S MolecularWeight: 221.292102

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C1CCC(CC1)OS(=O)(=O)O)C

Isomeric SMILES

[2H]C1(CCC(=C(C)C)CC1)OS(=O)(=O)O

InChI

InChI=1S/C9H16O4S/c1-7(2)8-3-5-9(6-4-8)13-14(10,11)12/h9H,3-6H2,1-2H3,(H,10,11,12)/i9D