[2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid

Systemtic Name: [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid Openeye Name: [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid CAS Name: [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid IUPAC Name: [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid Traditional Name: [2-[(2-acetamidoethyldisulfanyl)methyl]phenyl]methanesulfinic acid Formula: C12H17NO3S3 MolecularWeight: 319.46328

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCSSCC1=CC=CC=C1CS(=O)O

Isomeric SMILES

CC(=O)NCCSSCC1=CC=CC=C1CS(=O)O

InChI

InChI=1S/C12H17NO3S3/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)