5-[(4-methylphenyl)disulfanyl]pentane-1-sulfinic acid; sodium

Systemtic Name: 5-[(4-methylphenyl)disulfanyl]pentane-1-sulfinic acid; sodium Openeye Name: 5-(p-tolyldisulfanyl)pentane-1-sulfinic acid; sodium CAS Name: 5-[(4-methylphenyl)disulfanyl]-1-pentanesulfinic acid; sodium IUPAC Name: 5-[(4-methylphenyl)disulfanyl]pentane-1-sulfinic acid; sodium Traditional Name: 5-(p-tolyldisulfanyl)pentane-1-sulfinic acid; sodium Formula: C12H18NaO2S3 MolecularWeight: 313.45489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SSCCCCCS(=O)O.[Na]

Isomeric SMILES

CC1=CC=C(C=C1)SSCCCCCS(=O)O.[Na]

InChI

InChI=1S/C12H18O2S3.Na/c1-11-5-7-12(8-6-11)16-15-9-3-2-4-10-17(13)14;/h5-8H,2-4,9-10H2,1H3,(H,13,14);