[3,5-bis[2-(2-oxidanylpropoxy)ethoxycarbonyl]phenyl]phosphonic acid

Systemtic Name: [3,5-bis[2-(2-oxidanylpropoxy)ethoxycarbonyl]phenyl]phosphonic acid Openeye Name: [3,5-bis[2-(2-hydroxypropoxy)ethoxycarbonyl]phenyl]phosphonic acid CAS Name: [3,5-bis[2-(2-hydroxypropoxy)ethoxy-oxomethyl]phenyl]phosphonic acid IUPAC Name: [3,5-bis[2-(2-hydroxypropoxy)ethoxycarbonyl]phenyl]phosphonic acid Traditional Name: [3,5-bis[2-(2-hydroxypropoxy)ethoxycarbonyl]phenyl]phosphonic acid Formula: C18H27O11P MolecularWeight: 450.374141

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Descriptors Computed from Structure

Canonical SMILES:

CC(COCCOC(=O)C1=CC(=CC(=C1)P(=O)(O)O)C(=O)OCCOCC(C)O)O

Isomeric SMILES

CC(COCCOC(=O)C1=CC(=CC(=C1)P(=O)(O)O)C(=O)OCCOCC(C)O)O

InChI

InChI=1S/C18H27O11P/c1-12(19)10-26-3-5-28-17(21)14-7-15(9-16(8-14)30(23,24)25)18(22)29-6-4-27-11-13(2)20/h7-9,12-13,19-20H,3-6,10-11H2,1-2H3,(H2,23,24,25)