1,3-di(propan-2-yl)-2-(sulfinatoamino)benzene; ethyl cyclohexene-1-carboxylate

Systemtic Name: 1,3-di(propan-2-yl)-2-(sulfinatoamino)benzene; ethyl cyclohexene-1-carboxylate Openeye Name: 1,3-diisopropyl-2-(sulfinatoamino)benzene; ethyl cyclohexene-1-carboxylate CAS Name: 1-cyclohexenecarboxylic acid ethyl ester; 1,3-di(propan-2-yl)-2-(sulfinatoamino)benzene IUPAC Name: 1,3-di(propan-2-yl)-2-(sulfinatoamino)benzene; ethyl cyclohexene-1-carboxylate Traditional Name: cyclohexene-1-carboxylic acid ethyl ester; 1,3-diisopropyl-2-(sulfinatoamino)benzene Formula: C21H32NO4S- MolecularWeight: 394.54808

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCCC1.CC(C)C1=C(C(=CC=C1)C(C)C)NS(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CCCCC1.CC(C)C1=C(C(=CC=C1)C(C)C)NS(=O)[O-]

InChI

InChI=1S/C12H19NO2S.C9H14O2/c1-8(2)10-6-5-7-11(9(3)4)12(10)13-16(14)15;1-2-11-9(10)8-6-4-3-5-7-8/h5-9,13H,1-4H3,(H,14,15);6H,2-5,7H2,1H3/p-1