2-phosphonatooxyprop-2-enoate; tricyclohexylazanium

Systemtic Name: 2-phosphonatooxyprop-2-enoate; tricyclohexylazanium Openeye Name: 2-phosphonatooxyprop-2-enoate; tricyclohexylammonium CAS Name: 2-phosphonatooxy-2-propenoate; tricyclohexylammonium IUPAC Name: 2-phosphonatooxyprop-2-enoate; tricyclohexylazanium Traditional Name: 2-phosphatoacrylate; tricyclohexylammonium Formula: C57H104N3O6P MolecularWeight: 958.425921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/3C18H33N.C3H5O6P/c3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-2(3(4)5)9-10(6,7)8/h3*16-18H,1-15H2;1H2,(H,4,5)(H2,6,7,8)