[6-chloranyl-1-(cyclopropylmethyl)-4,5-dimethyl-benzimidazol-2-yl]sulfinylphosphonic acid

Systemtic Name: [6-chloranyl-1-(cyclopropylmethyl)-4,5-dimethyl-benzimidazol-2-yl]sulfinylphosphonic acid Openeye Name: [6-chloro-1-(cyclopropylmethyl)-4,5-dimethyl-benzimidazol-2-yl]sulfinylphosphonic acid CAS Name: [6-chloro-1-(cyclopropylmethyl)-4,5-dimethyl-2-benzimidazolyl]sulfinylphosphonic acid IUPAC Name: [6-chloro-1-(cyclopropylmethyl)-4,5-dimethylbenzimidazol-2-yl]sulfinylphosphonic acid Traditional Name: [6-chloro-1-(cyclopropylmethyl)-4,5-dimethyl-benzimidazol-2-yl]sulfinylphosphonic acid Formula: C13H16ClN2O4PS MolecularWeight: 362.768901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C)N=C(N2CC3CC3)S(=O)P(=O)(O)O)Cl

Isomeric SMILES

CC1=C(C=C2C(=C1C)N=C(N2CC3CC3)S(=O)P(=O)(O)O)Cl

InChI

InChI=1S/C13H16ClN2O4PS/c1-7-8(2)12-11(5-10(7)14)16(6-9-3-4-9)13(15-12)22(20)21(17,18)19/h5,9H,3-4,6H2,1-2H3,(H2,17,18,19)