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sodium 5-[(3-methylphenyl)amino]-2-oxidanyl-pentane-1-thiolate

sodium 5-[(3-methylphenyl)amino]-2-oxidanyl-pentane-1-thiolate

Systemtic Name:sodium 5-[(3-methylphenyl)amino]-2-oxidanyl-pentane-1-thiolate
Openeye Name:sodium 2-hydroxy-5-(3-methylanilino)pentane-1-thiolate
CAS Name:sodium 2-hydroxy-5-(3-methylanilino)-1-pentanethiolate
IUPAC Name:sodium 2-hydroxy-5-(3-methylanilino)pentane-1-thiolate
Traditional Name:sodium 2-hydroxy-5-(m-toluidino)pentane-1-thiolate
Formula: C12H18NNaOS
MolecularWeight: 247.33219
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NCCCC(C[S-])O.[Na+]


Isomeric SMILES

CC1=CC(=CC=C1)NCCCC(C[S-])O.[Na+]


InChI

InChI=1S/C12H19NOS.Na/c1-10-4-2-5-11(8-10)13-7-3-6-12(14)9-15;/h2,4-5,8,12-15H,3,6-7,9H2,1H3;/q;+1/p-1


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