[[4-ethoxy-2,6-diethyl-3-(2-methylbutan-2-yl)-5-propan-2-yl-phenyl]sulfanyl-phosphono-methyl]phosphonic acid

Systemtic Name: [[4-ethoxy-2,6-diethyl-3-(2-methylbutan-2-yl)-5-propan-2-yl-phenyl]sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [[3-(1,1-dimethylpropyl)-4-ethoxy-2,6-diethyl-5-isopropyl-phenyl]sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [[[4-ethoxy-2,6-diethyl-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]thio]-phosphonomethyl]phosphonic acid IUPAC Name: [[4-ethoxy-2,6-diethyl-3-(2-methylbutan-2-yl)-5-propan-2-ylphenyl]sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [[(3-tert-amyl-4-ethoxy-2,6-diethyl-5-isopropyl-phenyl)thio]-phosphono-methyl]phosphonic acid Formula: C21H38O7P2S MolecularWeight: 496.534742

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C(=C1SC(P(=O)(O)O)P(=O)(O)O)CC)C(C)(C)CC)OCC)C(C)C

Isomeric SMILES

CCC1=C(C(=C(C(=C1SC(P(=O)(O)O)P(=O)(O)O)CC)C(C)(C)CC)OCC)C(C)C

InChI

InChI=1S/C21H38O7P2S/c1-9-14-16(13(5)6)18(28-12-4)17(21(7,8)11-3)15(10-2)19(14)31-20(29(22,23)24)30(25,26)27/h13,20H,9-12H2,1-8H3,(H2,22,23,24)(H2,25,26,27)