(3,5,5-triethyl-8-octoxy-3-octoxycarbonyl-8-oxidanylidene-4-phosphono-octan-4-yl)phosphonic acid

Systemtic Name: (3,5,5-triethyl-8-octoxy-3-octoxycarbonyl-8-oxidanylidene-4-phosphono-octan-4-yl)phosphonic acid Openeye Name: [2,2-diethyl-1-(1-ethyl-1-octoxycarbonyl-propyl)-5-octoxy-5-oxo-1-phosphono-pentyl]phosphonic acid CAS Name: [3,5,5-triethyl-8-octoxy-3-[octoxy(oxo)methyl]-8-oxo-4-phosphonooctan-4-yl]phosphonic acid IUPAC Name: (3,5,5-triethyl-8-octoxy-3-octoxycarbonyl-8-oxo-4-phosphonooctan-4-yl)phosphonic acid Traditional Name: [2,2-diethyl-1-(1-ethyl-1-octoxycarbonyl-propyl)-5-keto-5-octoxy-1-phosphono-pentyl]phosphonic acid Formula: C31H62O10P2 MolecularWeight: 656.765502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC(=O)CCC(CC)(CC)C(C(CC)(CC)C(=O)OCCCCCCCC)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCCCOC(=O)CCC(CC)(CC)C(C(CC)(CC)C(=O)OCCCCCCCC)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C31H62O10P2/c1-7-13-15-17-19-21-25-40-27(32)23-24-29(9-3,10-4)31(42(34,35)36,43(37,38)39)30(11-5,12-6)28(33)41-26-22-20-18-16-14-8-2/h7-26H2,1-6H3,(H2,34,35,36)(H2,37,38,39)