4-methyl-4-pentyl-cyclohexa-2,5-diene-1-sulfonate; morpholin-4-ium

Systemtic Name: 4-methyl-4-pentyl-cyclohexa-2,5-diene-1-sulfonate; morpholin-4-ium Openeye Name: 4-methyl-4-pentyl-cyclohexa-2,5-diene-1-sulfonate; morpholin-4-ium CAS Name: 4-methyl-4-pentyl-1-cyclohexa-2,5-dienesulfonate; morpholin-4-ium IUPAC Name: 4-methyl-4-pentylcyclohexa-2,5-diene-1-sulfonate; morpholin-4-ium Traditional Name: 4-amyl-4-methyl-cyclohexa-2,5-diene-1-sulfonate; morpholin-4-ium Formula: C16H29NO4S MolecularWeight: 331.47076

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(C=CC(C=C1)S(=O)(=O)[O-])C.C1COCC[NH2+]1

Isomeric SMILES

CCCCCC1(C=CC(C=C1)S(=O)(=O)[O-])C.C1COCC[NH2+]1

InChI

InChI=1S/C12H20O3S.C4H9NO/c1-3-4-5-8-12(2)9-6-11(7-10-12)16(13,14)15;1-3-6-4-2-5-1/h6-7,9-11H,3-5,8H2,1-2H3,(H,13,14,15);5H,1-4H2