(2-azanyl-7-hexyl-6-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid

Systemtic Name: (2-azanyl-7-hexyl-6-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Openeye Name: (2-amino-7-hexyl-6-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid CAS Name: (2-amino-7-hexyl-6-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid IUPAC Name: (2-amino-7-hexyl-6-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Traditional Name: (2-amino-7-hexyl-6-methyl-1,3-benzothiazol-4-yl)oxymethylphosphonic acid Formula: C15H23N2O4PS MolecularWeight: 358.392881

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C2C(=C(C=C1C)OCP(=O)(O)O)N=C(S2)N

Isomeric SMILES

CCCCCCC1=C2C(=C(C=C1C)OCP(=O)(O)O)N=C(S2)N

InChI

InChI=1S/C15H23N2O4PS/c1-3-4-5-6-7-11-10(2)8-12(21-9-22(18,19)20)13-14(11)23-15(16)17-13/h8H,3-7,9H2,1-2H3,(H2,16,17)(H2,18,19,20)