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

Systemtic Name: [[3-tert-butyl-4-ethoxy-2,6-diethyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [[3-tert-butyl-5-(1,1-dimethylbutyl)-4-ethoxy-2,6-diethyl-phenyl]sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [[[3-tert-butyl-4-ethoxy-2,6-diethyl-5-(2-methylpentan-2-yl)phenyl]thio]-phosphonomethyl]phosphonic acid IUPAC Name: [[3-tert-butyl-4-ethoxy-2,6-diethyl-5-(2-methylpentan-2-yl)phenyl]sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [[[3-tert-butyl-5-(1,1-dimethylbutyl)-4-ethoxy-2,6-diethyl-phenyl]thio]-phosphono-methyl]phosphonic acid Formula: C23H42O7P2S MolecularWeight: 524.587902

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)(C)C1=C(C(=C(C(=C1CC)SC(P(=O)(O)O)P(=O)(O)O)CC)C(C)(C)C)OCC

Isomeric SMILES

CCCC(C)(C)C1=C(C(=C(C(=C1CC)SC(P(=O)(O)O)P(=O)(O)O)CC)C(C)(C)C)OCC

InChI

InChI=1S/C23H42O7P2S/c1-10-14-23(8,9)18-16(12-3)20(33-21(31(24,25)26)32(27,28)29)15(11-2)17(22(5,6)7)19(18)30-13-4/h21H,10-14H2,1-9H3,(H2,24,25,26)(H2,27,28,29)