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in /b, the character after the second canonical number may be only one of the following four: + – ?

April 26, 2017Canonical character

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in /b, the character after the second canonical number may be only one of the following four: + – ?

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(e) (/m and /s1) or (/s2) may be present only if /t is present (f) /s1 is present only if and only if /m is present (g) In case of a relative stereo (/s2) it does not matter whether the /t stereo shown in InChI was inverted or not. Moreover, /m would make different InChIs of the same relative stereo drawn as inverted and non-inverted. Therefore, in case of a /s2 (relative stereo) the /m segment is never present. (h) If the spatial inversion does not affect /t then no /s and /m is present in InChI. (i) Contents of /m should include at least one character 1 or 0 (which means at least one of the components is chiral), otherwise both /m and /s are omitted. (j) there may not be more than one /m and /s in each of M, MI, F, FI. Some of the above statements or their combinations may be equivalent.