sodium; 2,6-ditert-butylcyclohexa-2,5-dien-1-one; ethyl 3-(2-methyl-3-oxidanylidene-thiomorpholin-4-yl)propanoate

Systemtic Name: sodium; 2,6-ditert-butylcyclohexa-2,5-dien-1-one; ethyl 3-(2-methyl-3-oxidanylidene-thiomorpholin-4-yl)propanoate Openeye Name: sodium; 2,6-ditert-butylcyclohexa-2,5-dien-1-one; ethyl 3-(2-methyl-3-oxo-thiomorpholin-4-yl)propanoate CAS Name: sodium; 2,6-ditert-butyl-1-cyclohexa-2,5-dienone; 3-(2-methyl-3-oxo-4-thiomorpholinyl)propanoic acid ethyl ester IUPAC Name: sodium; 2,6-ditert-butylcyclohexa-2,5-dien-1-one; ethyl 3-(2-methyl-3-oxothiomorpholin-4-yl)propanoate Traditional Name: sodium; 2,6-ditert-butylcyclohexa-2,5-dien-1-one; 3-(3-keto-2-methyl-thiomorpholin-4-yl)propionic acid ethyl ester Formula: C24H38NNaO4S MolecularWeight: 459.61759

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1CCSC(C1=O)C.CC(C)(C)C1=C[CH-]C=C(C1=O)C(C)(C)C.[Na+]

Isomeric SMILES

CCOC(=O)CCN1CCSC(C1=O)C.CC(C)(C)C1=C[CH-]C=C(C1=O)C(C)(C)C.[Na+]

InChI

InChI=1S/C14H21O.C10H17NO3S.Na/c1-13(2,3)10-8-7-9-11(12(10)15)14(4,5)6;1-3-14-9(12)4-5-11-6-7-15-8(2)10(11)13;/h7-9H,1-6H3;8H,3-7H2,1-2H3;/q-1;;+1