sodium 6-dodecyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-2-carboxylate

Systemtic Name: sodium 6-dodecyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-2-carboxylate Openeye Name: sodium 6-dodecyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-2-carboxylate CAS Name: sodium 6-dodecyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-2-carboxylate IUPAC Name: sodium 6-dodecyl-4,5,7,8-tetrahydrothieno[2,3-d]azepine-2-carboxylate Traditional Name: sodium 6-lauryl-4,5,7,8-tetrahydrothien[2,3-d]azepine-2-carboxylate Formula: C21H34NNaO2S MolecularWeight: 387.55493

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN1CCC2=C(CC1)SC(=C2)C(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCN1CCC2=C(CC1)SC(=C2)C(=O)[O-].[Na+]

InChI

InChI=1S/C21H35NO2S.Na/c1-2-3-4-5-6-7-8-9-10-11-14-22-15-12-18-17-20(21(23)24)25-19(18)13-16-22;/h17H,2-16H2,1H3,(H,23,24);/q;+1/p-1