4-azanyl-1,4-bis(oxidanylidene)-1-(2-propylheptoxy)butane-2-sulfonic acid

Systemtic Name: 4-azanyl-1,4-bis(oxidanylidene)-1-(2-propylheptoxy)butane-2-sulfonic acid Openeye Name: 4-amino-1,4-dioxo-1-(2-propylheptoxy)butane-2-sulfonic acid CAS Name: 4-amino-1,4-dioxo-1-(2-propylheptoxy)-2-butanesulfonic acid IUPAC Name: 4-amino-1,4-dioxo-1-(2-propylheptoxy)butane-2-sulfonic acid Traditional Name: 4-amino-1,4-diketo-1-(2-propylheptoxy)butane-2-sulfonic acid Formula: C14H27NO6S MolecularWeight: 337.43228

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC)COC(=O)C(CC(=O)N)S(=O)(=O)O

Isomeric SMILES

CCCCCC(CCC)COC(=O)C(CC(=O)N)S(=O)(=O)O

InChI

InChI=1S/C14H27NO6S/c1-3-5-6-8-11(7-4-2)10-21-14(17)12(9-13(15)16)22(18,19)20/h11-12H,3-10H2,1-2H3,(H2,15,16)(H,18,19,20)