sodium 4-[(4-methylphenyl)disulfanyl]butane-1-sulfinate hydrate

Systemtic Name: sodium 4-[(4-methylphenyl)disulfanyl]butane-1-sulfinate hydrate Openeye Name: sodium 4-(p-tolyldisulfanyl)butane-1-sulfinate hydrate CAS Name: sodium 4-[(4-methylphenyl)disulfanyl]-1-butanesulfinate hydrate IUPAC Name: sodium 4-[(4-methylphenyl)disulfanyl]butane-1-sulfinate hydrate Traditional Name: sodium 4-(p-tolyldisulfanyl)butane-1-sulfinate hydrate Formula: C11H17NaO3S3 MolecularWeight: 316.43565

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H16O2S3.Na.H2O/c1-10-4-6-11(7-5-10)15-14-8-2-3-9-16(12)13;;/h4-7H,2-3,8-9H2,1H3,(H,12,13);;1H2/q;+1;/p-1