If they were shaped with straight sides then they would either need to fill in all that space with solid material (extra cost and also incredibly heavy), or somehow be hollow which would also involve a bit more material while also adding complexity.
Toilets tend not to go back to the wall because you *want* people to be able to clean back there. Also walls tend to have baseboards of varying size and design, and it would be very inconvenient if your toilet didn’t fit because of your baseboard.
It’s for manufacturing reasons. Having the outside be roughly the same shape as the inside means that it only needs to be made from a fairly thin bit of material, whereas to have a different shape it would need to fill in the gaps with more material making it heavier, or much more difficult to make.
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