[1-(2-acetyloxyphenyl)carbonyloxy-3-[methyl(pentyl)amino]-1-phosphono-propyl]phosphonic acid

Systemtic Name: [1-(2-acetyloxyphenyl)carbonyloxy-3-[methyl(pentyl)amino]-1-phosphono-propyl]phosphonic acid Openeye Name: [1-(2-acetoxybenzoyl)oxy-3-[methyl(pentyl)amino]-1-phosphono-propyl]phosphonic acid CAS Name: [1-[(2-acetyloxyphenyl)-oxomethoxy]-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid IUPAC Name: [1-(2-acetyloxybenzoyl)oxy-3-[methyl(pentyl)amino]-1-phosphonopropyl]phosphonic acid Traditional Name: [1-(2-acetoxybenzoyl)oxy-3-[amyl(methyl)amino]-1-phosphono-propyl]phosphonic acid Formula: C18H29NO10P2 MolecularWeight: 481.371082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)CCC(OC(=O)C1=CC=CC=C1OC(=O)C)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCN(C)CCC(OC(=O)C1=CC=CC=C1OC(=O)C)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C18H29NO10P2/c1-4-5-8-12-19(3)13-11-18(30(22,23)24,31(25,26)27)29-17(21)15-9-6-7-10-16(15)28-14(2)20/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H2,22,23,24)(H2,25,26,27)