1,4-bis(azanyl)-5-methyl-3-oxidanylidene-heptane-2-sulfonic acid

Systemtic Name: 1,4-bis(azanyl)-5-methyl-3-oxidanylidene-heptane-2-sulfonic acid Openeye Name: 1,4-diamino-5-methyl-3-oxo-heptane-2-sulfonic acid CAS Name: 1,4-diamino-5-methyl-3-oxo-2-heptanesulfonic acid IUPAC Name: 1,4-diamino-5-methyl-3-oxoheptane-2-sulfonic acid Traditional Name: 1,4-diamino-3-keto-5-methyl-heptane-2-sulfonic acid Formula: C8H18N2O4S MolecularWeight: 238.30452

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)C(CN)S(=O)(=O)O)N

Isomeric SMILES

CCC(C)C(C(=O)C(CN)S(=O)(=O)O)N

InChI

InChI=1S/C8H18N2O4S/c1-3-5(2)7(10)8(11)6(4-9)15(12,13)14/h5-7H,3-4,9-10H2,1-2H3,(H,12,13,14)