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

Systemtic Name: [(4-ethoxy-2,6-diethyl-3-methyl-5-propyl-phenyl)sulfanyl-phosphono-methyl]phosphonic acid Openeye Name: [(4-ethoxy-2,6-diethyl-3-methyl-5-propyl-phenyl)sulfanyl-phosphono-methyl]phosphonic acid CAS Name: [[(4-ethoxy-2,6-diethyl-3-methyl-5-propylphenyl)thio]-phosphonomethyl]phosphonic acid IUPAC Name: [(4-ethoxy-2,6-diethyl-3-methyl-5-propylphenyl)sulfanyl-phosphonomethyl]phosphonic acid Traditional Name: [[(4-ethoxy-2,6-diethyl-3-methyl-5-propyl-phenyl)thio]-phosphono-methyl]phosphonic acid Formula: C17H30O7P2S MolecularWeight: 440.428422

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C(=C1CC)SC(P(=O)(O)O)P(=O)(O)O)CC)C)OCC

Isomeric SMILES

CCCC1=C(C(=C(C(=C1CC)SC(P(=O)(O)O)P(=O)(O)O)CC)C)OCC

InChI

InChI=1S/C17H30O7P2S/c1-6-10-14-13(8-3)16(12(7-2)11(5)15(14)24-9-4)27-17(25(18,19)20)26(21,22)23/h17H,6-10H2,1-5H3,(H2,18,19,20)(H2,21,22,23)