[chloranyl-(2,3-diethylphenyl)sulfonyl-phosphono-methyl]phosphonic acid

Systemtic Name: [chloranyl-(2,3-diethylphenyl)sulfonyl-phosphono-methyl]phosphonic acid Openeye Name: [chloro-(2,3-diethylphenyl)sulfonyl-phosphono-methyl]phosphonic acid CAS Name: [chloro-(2,3-diethylphenyl)sulfonyl-phosphonomethyl]phosphonic acid IUPAC Name: [chloro-(2,3-diethylphenyl)sulfonyl-phosphonomethyl]phosphonic acid Traditional Name: [chloro-(2,3-diethylphenyl)sulfonyl-phosphono-methyl]phosphonic acid Formula: C11H17ClO8P2S MolecularWeight: 406.713402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)S(=O)(=O)C(P(=O)(O)O)(P(=O)(O)O)Cl)CC

Isomeric SMILES

CCC1=C(C(=CC=C1)S(=O)(=O)C(P(=O)(O)O)(P(=O)(O)O)Cl)CC

InChI

InChI=1S/C11H17ClO8P2S/c1-3-8-6-5-7-10(9(8)4-2)23(19,20)11(12,21(13,14)15)22(16,17)18/h5-7H,3-4H2,1-2H3,(H2,13,14,15)(H2,16,17,18)