2-ethylhexan-1-amine; (1-oxidanyl-1-phosphono-ethyl)phosphonic acid

Systemtic Name: 2-ethylhexan-1-amine; (1-oxidanyl-1-phosphono-ethyl)phosphonic acid Openeye Name: 2-ethylhexan-1-amine; (1-hydroxy-1-phosphono-ethyl)phosphonic acid CAS Name: 2-ethyl-1-hexanamine; (1-hydroxy-1-phosphonoethyl)phosphonic acid IUPAC Name: 2-ethylhexan-1-amine; (1-hydroxy-1-phosphonoethyl)phosphonic acid Traditional Name: 2-ethylhexylamine; (1-hydroxy-1-phosphono-ethyl)phosphonic acid Formula: C18H46N2O7P2 MolecularWeight: 464.514562

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CN.CCCCC(CC)CN.CC(O)(P(=O)(O)O)P(=O)(O)O

Isomeric SMILES

CCCCC(CC)CN.CCCCC(CC)CN.CC(O)(P(=O)(O)O)P(=O)(O)O

InChI

InChI=1S/2C8H19N.C2H8O7P2/c2*1-3-5-6-8(4-2)7-9;1-2(3,10(4,5)6)11(7,8)9/h2*8H,3-7,9H2,1-2H3;3H,1H3,(H2,4,5,6)(H2,7,8,9)