sodium [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinate

Systemtic Name: sodium [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinate Openeye Name: sodium [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinate CAS Name: sodium [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinate IUPAC Name: sodium [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinate Traditional Name: sodium [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinate Formula: C12H16NNaO3S3 MolecularWeight: 341.44511

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSSCC1=CC=CC=C1CS(=O)[O-].[Na+]

Isomeric SMILES

CC(=O)NCCSSCC1=CC=CC=C1CS(=O)[O-].[Na+]

InChI

InChI=1S/C12H17NO3S3.Na/c1-10(14)13-6-7-17-18-8-11-4-2-3-5-12(11)9-19(15)16;/h2-5H,6-9H2,1H3,(H,13,14)(H,15,16);/q;+1/p-1