(2-azanyl-6-propyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-6-propyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-6-propyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-6-propyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-6-propyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-6-propyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C11H15N2O4PS MolecularWeight: 302.286561

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C2C(=C1)SC(=N2)N)OCP(=O)(O)O

Isomeric SMILES

CCCC1=CC(=C2C(=C1)SC(=N2)N)OCP(=O)(O)O

InChI

InChI=1S/C11H15N2O4PS/c1-2-3-7-4-8(17-6-18(14,15)16)10-9(5-7)19-11(12)13-10/h4-5H,2-3,6H2,1H3,(H2,12,13)(H2,14,15,16)