[(5-bromanyl-2-ethoxy-3,4,6-triethyl-phenyl)sulfanyl-chloranyl-phosphono-methyl]phosphonic acid

Systemtic Name: [(5-bromanyl-2-ethoxy-3,4,6-triethyl-phenyl)sulfanyl-chloranyl-phosphono-methyl]phosphonic acid Openeye Name: [(5-bromo-2-ethoxy-3,4,6-triethyl-phenyl)sulfanyl-chloro-phosphono-methyl]phosphonic acid CAS Name: [[(5-bromo-2-ethoxy-3,4,6-triethylphenyl)thio]-chloro-phosphonomethyl]phosphonic acid IUPAC Name: [(5-bromo-2-ethoxy-3,4,6-triethylphenyl)sulfanyl-chloro-phosphonomethyl]phosphonic acid Traditional Name: [[(5-bromo-2-ethoxy-3,4,6-triethyl-phenyl)thio]-chloro-phosphono-methyl]phosphonic acid Formula: C15H24BrClO7P2S MolecularWeight: 525.716382

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1OCC)SC(P(=O)(O)O)(P(=O)(O)O)Cl)CC)Br)CC

Isomeric SMILES

CCC1=C(C(=C(C(=C1OCC)SC(P(=O)(O)O)(P(=O)(O)O)Cl)CC)Br)CC

InChI

InChI=1S/C15H24BrClO7P2S/c1-5-9-10(6-2)13(24-8-4)14(11(7-3)12(9)16)27-15(17,25(18,19)20)26(21,22)23/h5-8H2,1-4H3,(H2,18,19,20)(H2,21,22,23)