[1-[ethyl(octan-2-yl)amino]-1-oxidanylidene-2-phosphono-octan-2-yl]phosphonic acid

Systemtic Name: [1-[ethyl(octan-2-yl)amino]-1-oxidanylidene-2-phosphono-octan-2-yl]phosphonic acid Openeye Name: [1-[ethyl(1-methylheptyl)carbamoyl]-1-phosphono-heptyl]phosphonic acid CAS Name: [1-[ethyl(octan-2-yl)amino]-1-oxo-2-phosphonooctan-2-yl]phosphonic acid IUPAC Name: [1-[ethyl(octan-2-yl)amino]-1-oxo-2-phosphonooctan-2-yl]phosphonic acid Traditional Name: [1-[ethyl(1-methylheptyl)carbamoyl]-1-phosphono-heptyl]phosphonic acid Formula: C18H39NO7P2 MolecularWeight: 443.452282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)N(CC)C(=O)C(CCCCCC)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCCCC(C)N(CC)C(=O)C(CCCCCC)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/C18H39NO7P2/c1-5-8-10-12-14-16(4)19(7-3)17(20)18(27(21,22)23,28(24,25)26)15-13-11-9-6-2/h16H,5-15H2,1-4H3,(H2,21,22,23)(H2,24,25,26)