3-azanyl-6-methyl-4-sulfanyl-heptane-1-sulfonic acid

Systemtic Name: 3-azanyl-6-methyl-4-sulfanyl-heptane-1-sulfonic acid Openeye Name: 3-amino-6-methyl-4-sulfanyl-heptane-1-sulfonic acid CAS Name: 3-amino-4-mercapto-6-methyl-1-heptanesulfonic acid IUPAC Name: 3-amino-6-methyl-4-sulfanylheptane-1-sulfonic acid Traditional Name: 3-amino-4-mercapto-6-methyl-heptane-1-sulfonic acid Formula: C8H19NO3S2 MolecularWeight: 241.37136

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CCS(=O)(=O)O)N)S

Isomeric SMILES

CC(C)CC(C(CCS(=O)(=O)O)N)S

InChI

InChI=1S/C8H19NO3S2/c1-6(2)5-8(13)7(9)3-4-14(10,11)12/h6-8,13H,3-5,9H2,1-2H3,(H,10,11,12)