2-phosphonooxyethanoate; tricyclohexylazanium

Systemtic Name: 2-phosphonooxyethanoate; tricyclohexylazanium Openeye Name: 2-phosphonooxyacetate; tricyclohexylammonium CAS Name: 2-phosphonooxyacetate; tricyclohexylammonium IUPAC Name: 2-phosphonooxyacetate; tricyclohexylazanium Traditional Name: 2-phosphonooxyacetate; tricyclohexylammonium Formula: C20H38NO6P MolecularWeight: 419.492581

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)[NH+](C2CCCCC2)C3CCCCC3.C(C(=O)[O-])OP(=O)(O)O

Isomeric SMILES

C1CCC(CC1)[NH+](C2CCCCC2)C3CCCCC3.C(C(=O)[O-])OP(=O)(O)O

InChI

InChI=1S/C18H33N.C2H5O6P/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;3-2(4)1-8-9(5,6)7/h16-18H,1-15H2;1H2,(H,3,4)(H2,5,6,7)