About Parent Identification Type

This topic describes how the app identifies substances with the Parent identification type.

The Parent identification type identifies each individual fragment in a substance structural formula and then associates the substance to a unique identification corresponding to the fragment.

If the system associates the identification with one of the salts listed below, then the corresponding Parent identification does not display in the app. Identifications that do not correspond to a salt display in the Identification section of the substance record. Each fragment that is not a salt receives a Parent identification.

The Parent identification type does not identify structural formulae containing hydrogen or coordination bonds.

For each fragment, it neutralizes all non-metallic atoms that are not potentially part of a charge separated bond. If neutralizing the atom results in a valence violation, the atom is not changed. The intention of the change is to reduce the number of charged non-metallic atoms in the fragment to zero or as close to zero as possible.

Salt Name


propanoic acid


2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid


tetramethylazanium


oxalic acid


hexanedioic acid


phosphorous acid


phosphonic acid


tetraethylazanium


carbonic acid


trifluoromethanesulfonic acid


2,3-dihydroxybutanedioic acid


cyclopenta-1,3-diene


benzenesulfonic acid


1-hydroxypropane-1,2,3-tricarboxylic acid


2-hydroxypropane-1,2,3-tricarboxylic acid


dihydroxy(dioxo)manganese


permanganic acid


2-hydroxybutanedioic acid


acetic acid


methanesulfonic acid


hexafluorophosphate


2-aminobutanedioic acid


perchloric acid


sulfuric acid


lithium(1+)


beryllium(2+)


azane


oxidane


fluorane


sodium(1+)


magnesium(2+)


aluminium(3+)


chlorane


potassium(1+)


calcium(2+)


iron(2+)


iron(3+)


bromane


silver(1+)


iodane


barium(2+)


butanedioic acid


but-2-enedioic acid


sulfurous acid


hydroxy(dioxo)-lambda6-sulfane


2-hydroxypropanoic acid


2-oxopropanoic acid


tetrabutylazanium


hydroxy-(hydroxy(dioxo)chromio)oxy-dioxochromium


2-aminopentanedioic acid


2,2,2-trifluoroacetic acid


phosphoric acid


tetrafluoroborate


formic acid


nitrate


ethanesulfonic acid


benzoic acid


2-hydroxybenzoic acid


nitrous acid


butanoic acid