[[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid

Systemtic Name: [[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid Openeye Name: [[[4-(4-chlorophenyl)-3-ethyl-thiazol-2-ylidene]amino]-phosphono-methyl]phosphonic acid CAS Name: [[[4-(4-chlorophenyl)-3-ethyl-2-thiazolylidene]amino]-phosphonomethyl]phosphonic acid IUPAC Name: [[[4-(4-chlorophenyl)-3-ethyl-1,3-thiazol-2-ylidene]amino]-phosphonomethyl]phosphonic acid Traditional Name: [[[4-(4-chlorophenyl)-3-ethyl-4-thiazolin-2-ylidene]amino]-phosphono-methyl]phosphonic acid Formula: C12H15ClN2O6P2S MolecularWeight: 412.722822

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CSC1=NC(P(=O)(O)O)P(=O)(O)O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCN1C(=CSC1=NC(P(=O)(O)O)P(=O)(O)O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C12H15ClN2O6P2S/c1-2-15-10(8-3-5-9(13)6-4-8)7-24-11(15)14-12(22(16,17)18)23(19,20)21/h3-7,12H,2H2,1H3,(H2,16,17,18)(H2,19,20,21)